2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide

C16H11F2N3O — CID 47021837

IUPAC2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C16H11F2N3O/c17-11-6-7-14(18)13(10-11)16(22)19-15-8-9-21(20-15)12-4-2-1-3-5-12/h1-10H,(H,19,20,22)
InChIKeyFKGHNPCYXBDNRP-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.40
Rot. Bonds3

About 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide

2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 47021837) has the molecular formula C16H11F2N3O and a molecular weight of 299.28 g/mol. Its IUPAC name is 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID47021837
Molecular FormulaC16H11F2N3O
Molecular Weight299.28 g/mol
Exact Mass299.09
IUPAC Name2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C16H11F2N3O/c17-11-6-7-14(18)13(10-11)16(22)19-15-8-9-21(20-15)12-4-2-1-3-5-12/h1-10H,(H,19,20,22)
InChIKeyFKGHNPCYXBDNRP-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide
CID 46107029
5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 55537358
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536773
CID 154652808
CID 154652808
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea
CID 55696108
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537140
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide (CID 47021837) is 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide is O=C(Nc1ccn(-c2ccccc2)n1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is FKGHNPCYXBDNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O/c17-11-6-7-14(18)13(10-11)16(22)19-15-8-9-21(20-15)12-4-2-1-3-5-12/h1-10H,(H,19,20,22).
What are the key properties of 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide?
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 299.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 47021837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).