N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide

C24H26FN3O — CID 42754960

IUPACN-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCC3)n(-c3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C24H26FN3O/c1-16-8-9-18(14-17(16)2)22-15-23(24(29)26-20-6-4-3-5-7-20)28(27-22)21-12-10-19(25)11-13-21/h8-15,20H,3-7H2,1-2H3,(H,26,29)
InChIKeyCHWCNBASJZVAOR-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.36
Rot. Bonds4

About N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide

N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 42754960) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
PubChem CID42754960
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC NameN-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCC3)n(-c3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C24H26FN3O/c1-16-8-9-18(14-17(16)2)22-15-23(24(29)26-20-6-4-3-5-7-20)28(27-22)21-12-10-19(25)11-13-21/h8-15,20H,3-7H2,1-2H3,(H,26,29)
InChIKeyCHWCNBASJZVAOR-UHFFFAOYSA-N
XLogP5.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide (CID 42754960) is N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCCC3)n(-c3ccc(F)cc3)n2)cc1C.
What is the InChIKey of N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is CHWCNBASJZVAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-16-8-9-18(14-17(16)2)22-15-23(24(29)26-20-6-4-3-5-7-20)28(27-22)21-12-10-19(25)11-13-21/h8-15,20H,3-7H2,1-2H3,(H,26,29).
What are the key properties of N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide?
N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42754960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).