N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide

C25H19FN4O — CID 112772705

IUPACN-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(CC#N)c2ccccc2)c1
InChIInChI=1S/C25H19FN4O/c1-18-6-5-7-19(16-18)24-23(17-30(28-24)22-12-10-20(26)11-13-22)25(31)29(15-14-27)21-8-3-2-4-9-21/h2-13,16-17H,15H2,1H3
InChIKeyIXOYKJMCVBRULW-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.16
Rot. Bonds5

About N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide

N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide (PubChem CID 112772705) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide
PubChem CID112772705
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC NameN-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(CC#N)c2ccccc2)c1
InChIInChI=1S/C25H19FN4O/c1-18-6-5-7-19(16-18)24-23(17-30(28-24)22-12-10-20(26)11-13-22)25(31)29(15-14-27)21-8-3-2-4-9-21/h2-13,16-17H,15H2,1H3
InChIKeyIXOYKJMCVBRULW-UHFFFAOYSA-N
XLogP5.16
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 24681997
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46652667
propan-2-yl 2-[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56543733
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154633
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 41475510
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 30866504
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46518005
[2-(carbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate
CID 7800945
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone
CID 112813247
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 56546598

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide (CID 112772705) is N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide is Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(CC#N)c2ccccc2)c1.
What is the InChIKey of N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide?
The InChIKey is IXOYKJMCVBRULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O/c1-18-6-5-7-19(16-18)24-23(17-30(28-24)22-12-10-20(26)11-13-22)25(31)29(15-14-27)21-8-3-2-4-9-21/h2-13,16-17H,15H2,1H3.
What are the key properties of N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide?
N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112772705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).