1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide

C24H27N3O2 — CID 9041373

IUPAC1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H27N3O2/c1-29-22-15-9-8-14-20(22)23-21(24(28)25-19-12-6-3-7-13-19)17-27(26-23)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,17,19H,3,6-7,12-13,16H2,1H3,(H,25,28)
InChIKeyXHKXOENQENWBBF-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.67
Rot. Bonds6

About 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 9041373) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID9041373
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H27N3O2/c1-29-22-15-9-8-14-20(22)23-21(24(28)25-19-12-6-3-7-13-19)17-27(26-23)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,17,19H,3,6-7,12-13,16H2,1H3,(H,25,28)
InChIKeyXHKXOENQENWBBF-UHFFFAOYSA-N
XLogP4.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 9273186
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 25387163
1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424422
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9461304
1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119449675
[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25393779
[(3R,5S)-5-methyl-2-oxooxolan-3-yl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate
CID 39964471
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
1-benzyl-3-(4-chlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 46477065
(E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]prop-2-enoate
CID 2526128

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 9041373) is 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide is COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is XHKXOENQENWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-22-15-9-8-14-20(22)23-21(24(28)25-19-12-6-3-7-13-19)17-27(26-23)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,17,19H,3,6-7,12-13,16H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 9041373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).