3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide

C24H27N3O2 — CID 18288168

IUPAC3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-17-8-12-19(13-9-17)25-24(28)22-16-27(20-6-4-3-5-7-20)26-23(22)18-10-14-21(29-2)15-11-18/h3-7,10-11,14-17,19H,8-9,12-13H2,1-2H3,(H,25,28)
InChIKeyQQXAYUKINSBQEX-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.86
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide

3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 18288168) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide
PubChem CID18288168
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-17-8-12-19(13-9-17)25-24(28)22-16-27(20-6-4-3-5-7-20)26-23(22)18-10-14-21(29-2)15-11-18/h3-7,10-11,14-17,19H,8-9,12-13H2,1-2H3,(H,25,28)
InChIKeyQQXAYUKINSBQEX-UHFFFAOYSA-N
XLogP4.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide (CID 18288168) is 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is QQXAYUKINSBQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-8-12-19(13-9-17)25-24(28)22-16-27(20-6-4-3-5-7-20)26-23(22)18-10-14-21(29-2)15-11-18/h3-7,10-11,14-17,19H,8-9,12-13H2,1-2H3,(H,25,28).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18288168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).