Organoheterocyclic compounds
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1,3,5-Trimethylpyrazole 98.0+%, TCI America™
CAS: 1072-91-9 Molecular Formula: C6H10N2 Molecular Weight (g/mol): 110.16 MDL Number: MFCD00015536 InChI Key: HNOQAFMOBRWDKQ-UHFFFAOYSA-N Synonym: 1,3,5-trimethyl-1h-pyrazole,1h-pyrazole, 1,3,5-trimethyl,pyrazole, 1,3,5-trimethyl,akos pao-1133,pubchem20856,vitas-bb tbb000655,buttpark 15357-40,ksc490o8l,1,3,5-trimethylpyrazole,1,3,5-trimethyl-1h-pyrazole # PubChem CID: 14081 IUPAC Name: 1,3,5-trimethylpyrazole SMILES: CC1=CC(=NN1C)C
| PubChem CID | 14081 |
|---|---|
| CAS | 1072-91-9 |
| Molecular Weight (g/mol) | 110.16 |
| MDL Number | MFCD00015536 |
| SMILES | CC1=CC(=NN1C)C |
| Synonym | 1,3,5-trimethyl-1h-pyrazole,1h-pyrazole, 1,3,5-trimethyl,pyrazole, 1,3,5-trimethyl,akos pao-1133,pubchem20856,vitas-bb tbb000655,buttpark 15357-40,ksc490o8l,1,3,5-trimethylpyrazole,1,3,5-trimethyl-1h-pyrazole # |
| IUPAC Name | 1,3,5-trimethylpyrazole |
| InChI Key | HNOQAFMOBRWDKQ-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2 |
1-Nitropyrazole 97.0+%, TCI America™
CAS: 7119-95-1 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.076 MDL Number: MFCD00015894 InChI Key: TYNVOQYGXDUHRX-UHFFFAOYSA-N PubChem CID: 146002 IUPAC Name: 1-nitropyrazole SMILES: C1=CN(N=C1)[N+](=O)[O-]
| PubChem CID | 146002 |
|---|---|
| CAS | 7119-95-1 |
| Molecular Weight (g/mol) | 113.076 |
| MDL Number | MFCD00015894 |
| SMILES | C1=CN(N=C1)[N+](=O)[O-] |
| IUPAC Name | 1-nitropyrazole |
| InChI Key | TYNVOQYGXDUHRX-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3O2 |
3,5-Bis(trifluoromethyl)pyrazole 98.0+%, TCI America™
CAS: 14704-41-7 Molecular Formula: C5H2F6N2 Molecular Weight (g/mol): 204.075 MDL Number: MFCD00153672 InChI Key: NGDDUAYSWPUSLX-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole PubChem CID: 518991 IUPAC Name: 3,5-bis(trifluoromethyl)-1H-pyrazole SMILES: C1=C(NN=C1C(F)(F)F)C(F)(F)F
| PubChem CID | 518991 |
|---|---|
| CAS | 14704-41-7 |
| Molecular Weight (g/mol) | 204.075 |
| MDL Number | MFCD00153672 |
| SMILES | C1=C(NN=C1C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole |
| IUPAC Name | 3,5-bis(trifluoromethyl)-1H-pyrazole |
| InChI Key | NGDDUAYSWPUSLX-UHFFFAOYSA-N |
| Molecular Formula | C5H2F6N2 |
4-Bromoindazole 98.0+%, TCI America™
CAS: 186407-74-9 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD05664001 InChI Key: KJIODOACRIRBPB-UHFFFAOYSA-N Synonym: 4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole PubChem CID: 22352548 IUPAC Name: 4-bromo-1H-indazole SMILES: C1=CC2=C(C=NN2)C(=C1)Br
| PubChem CID | 22352548 |
|---|---|
| CAS | 186407-74-9 |
| Molecular Weight (g/mol) | 197.035 |
| MDL Number | MFCD05664001 |
| SMILES | C1=CC2=C(C=NN2)C(=C1)Br |
| Synonym | 4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole |
| IUPAC Name | 4-bromo-1H-indazole |
| InChI Key | KJIODOACRIRBPB-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2 |
3,5-Dimethyl-4-nitropyrazole 98.0+%, TCI America™
CAS: 14531-55-6 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00052513 InChI Key: OFQCJVVJRNPSET-UHFFFAOYSA-N PubChem CID: 146172 IUPAC Name: 3,5-dimethyl-4-nitro-1H-pyrazole SMILES: CC1=C(C(=NN1)C)[N+](=O)[O-]
| PubChem CID | 146172 |
|---|---|
| CAS | 14531-55-6 |
| Molecular Weight (g/mol) | 141.13 |
| MDL Number | MFCD00052513 |
| SMILES | CC1=C(C(=NN1)C)[N+](=O)[O-] |
| IUPAC Name | 3,5-dimethyl-4-nitro-1H-pyrazole |
| InChI Key | OFQCJVVJRNPSET-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O2 |
3-Hydroxyazetidine Hydrochloride 98.0+%, TCI America™
CAS: 18621-18-6 Molecular Formula: C3H8ClNO Molecular Weight (g/mol): 109.553 MDL Number: MFCD02683887 InChI Key: UQUPQEUNHVVNKW-UHFFFAOYSA-N Synonym: 3-hydroxyazetidine hydrochloride,azetidin-3-ol hydrochloride,3-hydroxyazetidine hcl,azetidin-3-ol hcl,3-azetidinol hydrochloride,azetidin-3-ol hydrochloride salt,3-azetidinol, hydrochloride,3-hydroxy-azetidine hydrochloride,azetidin-3-ol, hydrochloride salt,3-hydroxy-1-azetidine hydrochloride PubChem CID: 2759290 IUPAC Name: azetidin-3-ol;hydrochloride SMILES: C1C(CN1)O.Cl
| PubChem CID | 2759290 |
|---|---|
| CAS | 18621-18-6 |
| Molecular Weight (g/mol) | 109.553 |
| MDL Number | MFCD02683887 |
| SMILES | C1C(CN1)O.Cl |
| Synonym | 3-hydroxyazetidine hydrochloride,azetidin-3-ol hydrochloride,3-hydroxyazetidine hcl,azetidin-3-ol hcl,3-azetidinol hydrochloride,azetidin-3-ol hydrochloride salt,3-azetidinol, hydrochloride,3-hydroxy-azetidine hydrochloride,azetidin-3-ol, hydrochloride salt,3-hydroxy-1-azetidine hydrochloride |
| IUPAC Name | azetidin-3-ol;hydrochloride |
| InChI Key | UQUPQEUNHVVNKW-UHFFFAOYSA-N |
| Molecular Formula | C3H8ClNO |
3-Fluoroazetidine Hydrochloride 98.0+%, TCI America™
CAS: 617718-46-4 Molecular Formula: C3H7ClFN Molecular Weight (g/mol): 111.544 MDL Number: MFCD05663715 InChI Key: PXFUWRWCKSLCLS-UHFFFAOYSA-N Synonym: 3-fluoroazetidine hydrochloride,3-fluoroazetidine hcl,3-fluoroazetidinehydrochloride,azetidine, 3-fluoro-, hydrochloride,3-fluoroazetane hydrochloride,acmc-20dlgf,c3h6fn.hcl,ksc941o8n,3-fluoro-azetidine hydrochloride,3-fluoroazetidine hcl salt PubChem CID: 10125054 IUPAC Name: 3-fluoroazetidine;hydrochloride SMILES: C1C(CN1)F.Cl
| PubChem CID | 10125054 |
|---|---|
| CAS | 617718-46-4 |
| Molecular Weight (g/mol) | 111.544 |
| MDL Number | MFCD05663715 |
| SMILES | C1C(CN1)F.Cl |
| Synonym | 3-fluoroazetidine hydrochloride,3-fluoroazetidine hcl,3-fluoroazetidinehydrochloride,azetidine, 3-fluoro-, hydrochloride,3-fluoroazetane hydrochloride,acmc-20dlgf,c3h6fn.hcl,ksc941o8n,3-fluoro-azetidine hydrochloride,3-fluoroazetidine hcl salt |
| IUPAC Name | 3-fluoroazetidine;hydrochloride |
| InChI Key | PXFUWRWCKSLCLS-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClFN |
3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine 98.0+%, TCI America™
CAS: 32943-25-2 Molecular Formula: C14H12ClN Molecular Weight (g/mol): 229.707 MDL Number: MFCD01632171 InChI Key: MHUXTOYYIDFXRF-UHFFFAOYSA-N PubChem CID: 118364 IUPAC Name: 2-chloro-6,11-dihydro-5H-benzo[b][1]benzazepine SMILES: C1CC2=CC=CC=C2NC3=C1C=CC(=C3)Cl
| PubChem CID | 118364 |
|---|---|
| CAS | 32943-25-2 |
| Molecular Weight (g/mol) | 229.707 |
| MDL Number | MFCD01632171 |
| SMILES | C1CC2=CC=CC=C2NC3=C1C=CC(=C3)Cl |
| IUPAC Name | 2-chloro-6,11-dihydro-5H-benzo[b][1]benzazepine |
| InChI Key | MHUXTOYYIDFXRF-UHFFFAOYSA-N |
| Molecular Formula | C14H12ClN |
Oxcarbazepine 98.0+%, TCI America™
CAS: 28721-07-5 Molecular Formula: C15H12N2O2 Molecular Weight (g/mol): 252.273 MDL Number: MFCD00865307 InChI Key: CTRLABGOLIVAIY-UHFFFAOYSA-N Synonym: oxcarbazepine,trileptal,oxcarbamazepine,oxacarbazepine,oxcarbazepina,oxcarbazepinum,timox,oxcarbazepinum inn-latin,oxcarbazepina inn-spanish,oxcarbazepine inn PubChem CID: 34312 ChEBI: CHEBI:7824 IUPAC Name: 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide SMILES: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N
| PubChem CID | 34312 |
|---|---|
| CAS | 28721-07-5 |
| Molecular Weight (g/mol) | 252.273 |
| ChEBI | CHEBI:7824 |
| MDL Number | MFCD00865307 |
| SMILES | C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N |
| Synonym | oxcarbazepine,trileptal,oxcarbamazepine,oxacarbazepine,oxcarbazepina,oxcarbazepinum,timox,oxcarbazepinum inn-latin,oxcarbazepina inn-spanish,oxcarbazepine inn |
| IUPAC Name | 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide |
| InChI Key | CTRLABGOLIVAIY-UHFFFAOYSA-N |
| Molecular Formula | C15H12N2O2 |
DL-alpha-Amino-epsilon-caprolactam 98.0+%, TCI America™
CAS: 671-42-1 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.175 MDL Number: MFCD00064475 InChI Key: BOWUOGIPSRVRSJ-UHFFFAOYSA-N Synonym: DL-3-Aminohexahydro-2-azepinone, DL-3-Amino-2-oxohexamethyleneimine PubChem CID: 102463 ChEBI: CHEBI:19471 IUPAC Name: 3-aminoazepan-2-one SMILES: C1CCNC(=O)C(C1)N
| PubChem CID | 102463 |
|---|---|
| CAS | 671-42-1 |
| Molecular Weight (g/mol) | 128.175 |
| ChEBI | CHEBI:19471 |
| MDL Number | MFCD00064475 |
| SMILES | C1CCNC(=O)C(C1)N |
| Synonym | DL-3-Aminohexahydro-2-azepinone, DL-3-Amino-2-oxohexamethyleneimine |
| IUPAC Name | 3-aminoazepan-2-one |
| InChI Key | BOWUOGIPSRVRSJ-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
10,11-Dihydro-5H-dibenzo[b,f]azepine 97.0+%, TCI America™
CAS: 494-19-9 Molecular Formula: C14H13N Molecular Weight (g/mol): 195.27 MDL Number: MFCD00005070 InChI Key: ZSMRRZONCYIFNB-UHFFFAOYSA-N Synonym: iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine PubChem CID: 10308 IUPAC Name: 2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene SMILES: C1CC2=CC=CC=C2NC2=CC=CC=C12
| PubChem CID | 10308 |
|---|---|
| CAS | 494-19-9 |
| Molecular Weight (g/mol) | 195.27 |
| MDL Number | MFCD00005070 |
| SMILES | C1CC2=CC=CC=C2NC2=CC=CC=C12 |
| Synonym | iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine |
| IUPAC Name | 2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene |
| InChI Key | ZSMRRZONCYIFNB-UHFFFAOYSA-N |
| Molecular Formula | C14H13N |
Eslicarbazepine Acetate 98.0+%, TCI America™
CAS: 236395-14-5 Molecular Formula: C17H16N2O3 Molecular Weight (g/mol): 296.326 MDL Number: MFCD06798333 InChI Key: QIALRBLEEWJACW-INIZCTEOSA-N Synonym: BIA 2-093, (S)-(-)-10-Acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide PubChem CID: 179344 ChEBI: CHEBI:87016 IUPAC Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate SMILES: CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N
| PubChem CID | 179344 |
|---|---|
| CAS | 236395-14-5 |
| Molecular Weight (g/mol) | 296.326 |
| ChEBI | CHEBI:87016 |
| MDL Number | MFCD06798333 |
| SMILES | CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N |
| Synonym | BIA 2-093, (S)-(-)-10-Acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide |
| IUPAC Name | [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate |
| InChI Key | QIALRBLEEWJACW-INIZCTEOSA-N |
| Molecular Formula | C17H16N2O3 |
10-Methoxy-5H-dibenzo[b,f]azepine 98.0+%, TCI America™
CAS: 11-7-4698 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00101079 InChI Key: ZKHZWXLOSIGIGZ-UHFFFAOYSA-N Synonym: 10-Methoxy-2,2′C-iminostilbene PubChem CID: 78424 IUPAC Name: 5-methoxy-11H-benzo[b][1]benzazepine SMILES: COC1=CC2=CC=CC=C2NC3=CC=CC=C31
| PubChem CID | 78424 |
|---|---|
| CAS | 11-7-4698 |
| Molecular Weight (g/mol) | 223.28 |
| MDL Number | MFCD00101079 |
| SMILES | COC1=CC2=CC=CC=C2NC3=CC=CC=C31 |
| Synonym | 10-Methoxy-2,2′C-iminostilbene |
| IUPAC Name | 5-methoxy-11H-benzo[b][1]benzazepine |
| InChI Key | ZKHZWXLOSIGIGZ-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
Lornoxicam 98.0+%, TCI America™
CAS: 70374-39-9 Molecular Formula: C13H10ClN3O4S2 Molecular Weight (g/mol): 371.81 MDL Number: MFCD00866163 InChI Key: WLHQHAUOOXYABV-UHFFFAOYSA-N Synonym: 6-Chloro-4-hydroxy-2-methyl-N-(2-pyridyl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-Dioxide PubChem CID: 54690031 ChEBI: CHEBI:31783 IUPAC Name: 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide SMILES: CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3
| PubChem CID | 54690031 |
|---|---|
| CAS | 70374-39-9 |
| Molecular Weight (g/mol) | 371.81 |
| ChEBI | CHEBI:31783 |
| MDL Number | MFCD00866163 |
| SMILES | CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3 |
| Synonym | 6-Chloro-4-hydroxy-2-methyl-N-(2-pyridyl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-Dioxide |
| IUPAC Name | 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide |
| InChI Key | WLHQHAUOOXYABV-UHFFFAOYSA-N |
| Molecular Formula | C13H10ClN3O4S2 |
3,5-Diisopropylpyrazole 98.0+%, TCI America™
CAS: 17536-00-4 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00671516 InChI Key: PJSJVTZSFIRYIZ-UHFFFAOYSA-N PubChem CID: 5255229 IUPAC Name: 3,5-di(propan-2-yl)-1H-pyrazole SMILES: CC(C)C1=CC(=NN1)C(C)C
| PubChem CID | 5255229 |
|---|---|
| CAS | 17536-00-4 |
| Molecular Weight (g/mol) | 152.241 |
| MDL Number | MFCD00671516 |
| SMILES | CC(C)C1=CC(=NN1)C(C)C |
| IUPAC Name | 3,5-di(propan-2-yl)-1H-pyrazole |
| InChI Key | PJSJVTZSFIRYIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H16N2 |