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

C19H12ClFN4O2S — CID 67400775

IUPACN-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)Nc3ccc(Cl)cc3)cc12)c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN4O2S/c20-11-3-7-13(8-4-11)22-18(27)15-9-14-16(24-25-19(14)28-15)23-17(26)10-1-5-12(21)6-2-10/h1-9H,(H,22,27)(H2,23,24,25,26)
InChIKeyODMCPQXMCGNLBE-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.92
Rot. Bonds4

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

N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67400775) has the molecular formula C19H12ClFN4O2S and a molecular weight of 414.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67400775
Molecular FormulaC19H12ClFN4O2S
Molecular Weight414.85 g/mol
Exact Mass414.04
IUPAC NameN-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)Nc3ccc(Cl)cc3)cc12)c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN4O2S/c20-11-3-7-13(8-4-11)22-18(27)15-9-14-16(24-25-19(14)28-15)23-17(26)10-1-5-12(21)6-2-10/h1-9H,(H,22,27)(H2,23,24,25,26)
InChIKeyODMCPQXMCGNLBE-UHFFFAOYSA-N
XLogP4.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399374
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399771
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
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
N-[2-(4-fluorophenyl)propan-2-yl]-3-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66784959
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783713

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67400775) is N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is O=C(Nc1[nH]nc2sc(C(=O)Nc3ccc(Cl)cc3)cc12)c1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is ODMCPQXMCGNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2S/c20-11-3-7-13(8-4-11)22-18(27)15-9-14-16(24-25-19(14)28-15)23-17(26)10-1-5-12(21)6-2-10/h1-9H,(H,22,27)(H2,23,24,25,26).
What are the key properties of N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 4.92, 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-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67400775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).