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

C20H15ClN4O2S — CID 67399374

IUPACN-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2[nH]nc3sc(C(=O)Nc4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-11-2-4-12(5-3-11)18(26)23-17-15-10-16(28-20(15)25-24-17)19(27)22-14-8-6-13(21)7-9-14/h2-10H,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyLIKGPEXJJFVUAM-UHFFFAOYSA-N
MW410.89 g/mol
LogP5.09
Rot. Bonds4

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

N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67399374) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67399374
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC NameN-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2[nH]nc3sc(C(=O)Nc4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-11-2-4-12(5-3-11)18(26)23-17-15-10-16(28-20(15)25-24-17)19(27)22-14-8-6-13(21)7-9-14/h2-10H,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyLIKGPEXJJFVUAM-UHFFFAOYSA-N
XLogP5.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.89
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400775
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399771
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402095
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399038
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
(4-chlorophenyl)-cyclobutyl-methyl-[[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carbonyl]amino]azanium
CID 91606286
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67399374) is N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is Cc1ccc(C(=O)Nc2[nH]nc3sc(C(=O)Nc4ccc(Cl)cc4)cc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is LIKGPEXJJFVUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-11-2-4-12(5-3-11)18(26)23-17-15-10-16(28-20(15)25-24-17)19(27)22-14-8-6-13(21)7-9-14/h2-10H,1H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 410.89 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67399374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).