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

C16H15FN4O2S — CID 68826626

IUPAC3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(F)cc3)c2s1
InChIInChI=1S/C16H15FN4O2S/c1-8(2)18-16(23)12-7-11-13(24-12)14(21-20-11)19-15(22)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,18,23)(H2,19,20,21,22)
InChIKeyTXHIKAXRBRNIEN-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.15
Rot. Bonds4

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

3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide (PubChem CID 68826626) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide
PubChem CID68826626
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(F)cc3)c2s1
InChIInChI=1S/C16H15FN4O2S/c1-8(2)18-16(23)12-7-11-13(24-12)14(21-20-11)19-15(22)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,18,23)(H2,19,20,21,22)
InChIKeyTXHIKAXRBRNIEN-UHFFFAOYSA-N
XLogP3.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 68824358
N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846703
N-[(4-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847194
N-[(2,4-difluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846528
methyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 68825056
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846878
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847344
N-[(3-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847193
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847024
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
CID 134328024
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide (CID 68826626) is 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide is CC(C)NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(F)cc3)c2s1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The InChIKey is TXHIKAXRBRNIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-8(2)18-16(23)12-7-11-13(24-12)14(21-20-11)19-15(22)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,18,23)(H2,19,20,21,22).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide?
3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 68826626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).