N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide

C20H15FN4O2S — CID 68824358

IUPACN-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c2cc(C(=O)NCc3ccccc3)sc12)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2S/c21-14-8-6-13(7-9-14)19(26)23-18-17-15(24-25-18)10-16(28-17)20(27)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,27)(H2,23,24,25,26)
InChIKeyJFOANWYTMDNEHL-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.95
Rot. Bonds5

About N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide

N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide (PubChem CID 68824358) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
PubChem CID68824358
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c2cc(C(=O)NCc3ccccc3)sc12)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2S/c21-14-8-6-13(7-9-14)19(26)23-18-17-15(24-25-18)10-16(28-17)20(27)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,27)(H2,23,24,25,26)
InChIKeyJFOANWYTMDNEHL-UHFFFAOYSA-N
XLogP3.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847194
N-[(3-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847193
3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 68826626
3-(benzylcarbamoylamino)-N-prop-2-enyl-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846196
N-[(2,4-difluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846528
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide
CID 46256044
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
CID 58810200
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756086
N-benzyl-6-tert-butyl-2-[(4-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5058888

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide (CID 68824358) is N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide is O=C(Nc1n[nH]c2cc(C(=O)NCc3ccccc3)sc12)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The InChIKey is JFOANWYTMDNEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-14-8-6-13(7-9-14)19(26)23-18-17-15(24-25-18)10-16(28-17)20(27)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,27)(H2,23,24,25,26).
What are the key properties of N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 68824358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).