1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide

C19H15ClN4O2S — CID 51120050

IUPAC1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3c[nH]ccc3=O)cc12
InChIInChI=1S/C19H15ClN4O2S/c1-11-14-8-17(18(26)22-15-9-21-7-6-16(15)25)27-19(14)24(23-11)10-12-2-4-13(20)5-3-12/h2-9H,10H2,1H3,(H,21,25)(H,22,26)
InChIKeyYOVVKNHINHRUHR-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.05
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide

1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51120050) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51120050
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3c[nH]ccc3=O)cc12
InChIInChI=1S/C19H15ClN4O2S/c1-11-14-8-17(18(26)22-15-9-21-7-6-16(15)25)27-19(14)24(23-11)10-12-2-4-13(20)5-3-12/h2-9H,10H2,1H3,(H,21,25)(H,22,26)
InChIKeyYOVVKNHINHRUHR-UHFFFAOYSA-N
XLogP4.05
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 7961231
1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 35036040
1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 27647797
N-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26586135
1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 4985598
1-[(4-chlorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8762600
1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9327444
N-(2-acetamidoethyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740674
1-[(4-chlorophenyl)methyl]-N-[4-(dimethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 34546638
N-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119406494
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120831470

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 51120050) is 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3c[nH]ccc3=O)cc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YOVVKNHINHRUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-11-14-8-17(18(26)22-15-9-21-7-6-16(15)25)27-19(14)24(23-11)10-12-2-4-13(20)5-3-12/h2-9H,10H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 398.88 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-oxo-1H-pyridin-3-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51120050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).