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

C24H19ClFN3O2 — CID 46088039

IUPAC2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(F)cc3Cl)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H19ClFN3O2/c1-15-3-8-18(9-4-15)29-23(27-24(30)20-12-7-17(26)13-21(20)25)14-22(28-29)16-5-10-19(31-2)11-6-16/h3-14H,1-2H3,(H,27,30)
InChIKeyFBCXYSUUKBEEFN-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.90
Rot. Bonds5

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

2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide (PubChem CID 46088039) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide
PubChem CID46088039
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC Name2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(F)cc3Cl)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H19ClFN3O2/c1-15-3-8-18(9-4-15)29-23(27-24(30)20-12-7-17(26)13-21(20)25)14-22(28-29)16-5-10-19(31-2)11-6-16/h3-14H,1-2H3,(H,27,30)
InChIKeyFBCXYSUUKBEEFN-UHFFFAOYSA-N
XLogP5.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(3-methoxyphenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11696353
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327
N-butyl-N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 42731776
5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
CID 71697666
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352192

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide (CID 46088039) is 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide is COc1ccc(-c2cc(NC(=O)c3ccc(F)cc3Cl)n(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide?
The InChIKey is FBCXYSUUKBEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c1-15-3-8-18(9-4-15)29-23(27-24(30)20-12-7-17(26)13-21(20)25)14-22(28-29)16-5-10-19(31-2)11-6-16/h3-14H,1-2H3,(H,27,30).
What are the key properties of 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide?
2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide has a molecular weight of 435.89 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 46088039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).