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

C12H11FN4O2 — CID 729687

IUPAC2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccccc2F)n[nH]1
InChIInChI=1S/C12H11FN4O2/c1-7-6-10(17-16-7)14-12(19)15-11(18)8-4-2-3-5-9(8)13/h2-6H,1H3,(H3,14,15,16,17,18,19)
InChIKeyTXYQOWUAXHEIDP-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.82
Rot. Bonds2

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

2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide (PubChem CID 729687) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
PubChem CID729687
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccccc2F)n[nH]1
InChIInChI=1S/C12H11FN4O2/c1-7-6-10(17-16-7)14-12(19)15-11(18)8-4-2-3-5-9(8)13/h2-6H,1H3,(H3,14,15,16,17,18,19)
InChIKeyTXYQOWUAXHEIDP-UHFFFAOYSA-N
XLogP1.82
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.82
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
4-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330973
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330978
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330979
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
4-bromo-N-(5-cyclobutyl-1H-pyrazol-3-yl)benzamide
CID 5330987
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The IUPAC name of 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide (CID 729687) is 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2ccccc2F)n[nH]1.
What is the InChIKey of 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The InChIKey is TXYQOWUAXHEIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-7-6-10(17-16-7)14-12(19)15-11(18)8-4-2-3-5-9(8)13/h2-6H,1H3,(H3,14,15,16,17,18,19).
What are the key properties of 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide has a molecular weight of 262.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide is sourced from PubChem (CID 729687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).