3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide

C19H13ClN4O2S — CID 67401659

IUPAC3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)Nc3ccccc3)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN4O2S/c20-12-8-6-11(7-9-12)17(25)22-16-14-10-15(27-19(14)24-23-16)18(26)21-13-4-2-1-3-5-13/h1-10H,(H,21,26)(H2,22,23,24,25)
InChIKeyWUKMQYMKUAZUTE-UHFFFAOYSA-N
MW396.86 g/mol
LogP4.78
Rot. Bonds4

About 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67401659) has the molecular formula C19H13ClN4O2S and a molecular weight of 396.86 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67401659
Molecular FormulaC19H13ClN4O2S
Molecular Weight396.86 g/mol
Exact Mass396.04
IUPAC Name3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)Nc3ccccc3)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN4O2S/c20-12-8-6-11(7-9-12)17(25)22-16-14-10-15(27-19(14)24-23-16)18(26)21-13-4-2-1-3-5-13/h1-10H,(H,21,26)(H2,22,23,24,25)
InChIKeyWUKMQYMKUAZUTE-UHFFFAOYSA-N
XLogP4.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400775
N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399374
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399771
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398673
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399038
3-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68823372
N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398184
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67401659) is 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide is O=C(Nc1[nH]nc2sc(C(=O)Nc3ccccc3)cc12)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is WUKMQYMKUAZUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2S/c20-12-8-6-11(7-9-12)17(25)22-16-14-10-15(27-19(14)24-23-16)18(26)21-13-4-2-1-3-5-13/h1-10H,(H,21,26)(H2,22,23,24,25).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 396.86 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67401659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).