1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

C24H20FN3O2 — CID 18226016

IUPAC1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H20FN3O2/c1-16-3-5-17(6-4-16)23-22(15-28(27-23)20-11-7-18(25)8-12-20)24(29)26-19-9-13-21(30-2)14-10-19/h3-15H,1-2H3,(H,26,29)
InChIKeyVHFGBMRLOCDBPM-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.25
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 18226016) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID18226016
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H20FN3O2/c1-16-3-5-17(6-4-16)23-22(15-28(27-23)20-11-7-18(25)8-12-20)24(29)26-19-9-13-21(30-2)14-10-19/h3-15H,1-2H3,(H,26,29)
InChIKeyVHFGBMRLOCDBPM-UHFFFAOYSA-N
XLogP5.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 26734824
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 46593838
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
methyl 2-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 27682175
ethyl 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 1340433
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 18226016) is 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is VHFGBMRLOCDBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-16-3-5-17(6-4-16)23-22(15-28(27-23)20-11-7-18(25)8-12-20)24(29)26-19-9-13-21(30-2)14-10-19/h3-15H,1-2H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18226016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).