3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide

C24H27N3O2 — CID 24983053

IUPAC3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C24H27N3O2/c1-17-8-6-7-11-22(17)25-24(28)21-16-27(19-9-4-3-5-10-19)26-23(21)18-12-14-20(29-2)15-13-18/h3-5,9-10,12-17,22H,6-8,11H2,1-2H3,(H,25,28)
InChIKeyXSHQWODARKFKDN-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.86
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide

3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24983053) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide
PubChem CID24983053
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C24H27N3O2/c1-17-8-6-7-11-22(17)25-24(28)21-16-27(19-9-4-3-5-10-19)26-23(21)18-12-14-20(29-2)15-13-18/h3-5,9-10,12-17,22H,6-8,11H2,1-2H3,(H,25,28)
InChIKeyXSHQWODARKFKDN-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide (CID 24983053) is 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCCC2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is XSHQWODARKFKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-8-6-7-11-22(17)25-24(28)21-16-27(19-9-4-3-5-10-19)26-23(21)18-12-14-20(29-2)15-13-18/h3-5,9-10,12-17,22H,6-8,11H2,1-2H3,(H,25,28).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
3-(4-methoxyphenyl)-N-(2-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-(2-methylcyclohexyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24983053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).