2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide

C12H10F2N4O2 — CID 671564

IUPAC2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)n[nH]1
InChIInChI=1S/C12H10F2N4O2/c1-6-4-10(18-17-6)15-12(20)16-11(19)8-3-2-7(13)5-9(8)14/h2-5H,1H3,(H3,15,16,17,18,19,20)
InChIKeyLTGSQWQGPXSEAT-UHFFFAOYSA-N
MW280.23 g/mol
LogP1.96
Rot. Bonds2

About 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide

2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide (PubChem CID 671564) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
PubChem CID671564
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)n[nH]1
InChIInChI=1S/C12H10F2N4O2/c1-6-4-10(18-17-6)15-12(20)16-11(19)8-3-2-7(13)5-9(8)14/h2-5H,1H3,(H3,15,16,17,18,19,20)
InChIKeyLTGSQWQGPXSEAT-UHFFFAOYSA-N
XLogP1.96
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 5330946
3-Benzamidoaminopyrazole deriv. 23
CID 5330991

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide (CID 671564) is 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)n[nH]1.
What is the InChIKey of 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The InChIKey is LTGSQWQGPXSEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c1-6-4-10(18-17-6)15-12(20)16-11(19)8-3-2-7(13)5-9(8)14/h2-5H,1H3,(H3,15,16,17,18,19,20).
What are the key properties of 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide has a molecular weight of 280.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide is sourced from PubChem (CID 671564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).