3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide

C13H12F2N4O2 — CID 141159341

IUPAC3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2C)n[nH]1
InChIInChI=1S/C13H12F2N4O2/c1-6-3-8(14)9(15)4-7(6)12(20)17-11-5-10(18-19-11)13(21)16-2/h3-5H,1-2H3,(H,16,21)(H2,17,18,19,20)
InChIKeyBGDDUPDNNWIMNW-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.61
Rot. Bonds3

About 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide

3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 141159341) has the molecular formula C13H12F2N4O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID141159341
Molecular FormulaC13H12F2N4O2
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2C)n[nH]1
InChIInChI=1S/C13H12F2N4O2/c1-6-3-8(14)9(15)4-7(6)12(20)17-11-5-10(18-19-11)13(21)16-2/h3-5H,1-2H3,(H,16,21)(H2,17,18,19,20)
InChIKeyBGDDUPDNNWIMNW-UHFFFAOYSA-N
XLogP1.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[(4,5-difluoro-2-methylbenzoyl)amino]-1H-pyrazole-5-carbonyl]-methylamino]benzoic acid
CID 58810419
CID 87764208
CID 87764208
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810240
2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 167902187
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 75501249
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528072
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide
CID 15948590
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 58810350
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide
CID 115674962

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide (CID 141159341) is 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide is CNC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2C)n[nH]1.
What is the InChIKey of 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is BGDDUPDNNWIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O2/c1-6-3-8(14)9(15)4-7(6)12(20)17-11-5-10(18-19-11)13(21)16-2/h3-5H,1-2H3,(H,16,21)(H2,17,18,19,20).
What are the key properties of 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide?
3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141159341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).