1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide

C23H17F2N3O — CID 4638093

IUPAC1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17F2N3O/c1-15-2-10-19(11-3-15)26-23(29)22-14-21(16-4-6-17(24)7-5-16)27-28(22)20-12-8-18(25)9-13-20/h2-14H,1H3,(H,26,29)
InChIKeyZKWKZWJPVWXVGY-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.38
Rot. Bonds4

About 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide

1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 4638093) has the molecular formula C23H17F2N3O and a molecular weight of 389.41 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID4638093
Molecular FormulaC23H17F2N3O
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17F2N3O/c1-15-2-10-19(11-3-15)26-23(29)22-14-21(16-4-6-17(24)7-5-16)27-28(22)20-12-8-18(25)9-13-20/h2-14H,1H3,(H,26,29)
InChIKeyZKWKZWJPVWXVGY-UHFFFAOYSA-N
XLogP5.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
CID 4015371
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
1-[4-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 5003812
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 2650045
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide
CID 4298131
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757
N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758503
N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 771732
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide (CID 4638093) is 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is ZKWKZWJPVWXVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O/c1-15-2-10-19(11-3-15)26-23(29)22-14-21(16-4-6-17(24)7-5-16)27-28(22)20-12-8-18(25)9-13-20/h2-14H,1H3,(H,26,29).
What are the key properties of 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide?
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4638093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).