2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide

C23H17ClFN3O — CID 46088054

IUPAC2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(F)cc3Cl)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17ClFN3O/c1-15-7-9-16(10-8-15)21-14-22(28(27-21)18-5-3-2-4-6-18)26-23(29)19-12-11-17(25)13-20(19)24/h2-14H,1H3,(H,26,29)
InChIKeyCORUPXCJWPJKJL-UHFFFAOYSA-N
MW405.86 g/mol
LogP5.89
Rot. Bonds4

About 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide

2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 46088054) has the molecular formula C23H17ClFN3O and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID46088054
Molecular FormulaC23H17ClFN3O
Molecular Weight405.86 g/mol
Exact Mass405.10
IUPAC Name2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(F)cc3Cl)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17ClFN3O/c1-15-7-9-16(10-8-15)21-14-22(28(27-21)18-5-3-2-4-6-18)26-23(29)19-12-11-17(25)13-20(19)24/h2-14H,1H3,(H,26,29)
InChIKeyCORUPXCJWPJKJL-UHFFFAOYSA-N
XLogP5.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.86
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 91633981
N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11473880
2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
CID 2372877
N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 46088027
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
2,4-dichloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42732759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide (CID 46088054) is 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide is Cc1ccc(-c2cc(NC(=O)c3ccc(F)cc3Cl)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is CORUPXCJWPJKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O/c1-15-7-9-16(10-8-15)21-14-22(28(27-21)18-5-3-2-4-6-18)26-23(29)19-12-11-17(25)13-20(19)24/h2-14H,1H3,(H,26,29).
What are the key properties of 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide?
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 405.86 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 46088054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).