1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide

C25H29N3O2 — CID 9273186

IUPAC1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C25H29N3O2/c1-18-10-6-8-14-22(18)26-25(29)21-17-28(16-19-11-4-3-5-12-19)27-24(21)20-13-7-9-15-23(20)30-2/h3-5,7,9,11-13,15,17-18,22H,6,8,10,14,16H2,1-2H3,(H,26,29)/t18-,22+/m1/s1
InChIKeyGQOXOVUWUAQJAT-GCJKJVERSA-N
MW403.53 g/mol
LogP4.92
Rot. Bonds6

About 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide

1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide (PubChem CID 9273186) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide
PubChem CID9273186
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C25H29N3O2/c1-18-10-6-8-14-22(18)26-25(29)21-17-28(16-19-11-4-3-5-12-19)27-24(21)20-13-7-9-15-23(20)30-2/h3-5,7,9,11-13,15,17-18,22H,6,8,10,14,16H2,1-2H3,(H,26,29)/t18-,22+/m1/s1
InChIKeyGQOXOVUWUAQJAT-GCJKJVERSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 9041373
[(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-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
CID 120574310
[(3R,5S)-5-methyl-2-oxooxolan-3-yl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate
CID 39964471
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25393779
(E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]prop-2-enoate
CID 2526128
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424422
1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119449675

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide (CID 9273186) is 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide is COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide?
The InChIKey is GQOXOVUWUAQJAT-GCJKJVERSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-10-6-8-14-22(18)26-25(29)21-17-28(16-19-11-4-3-5-12-19)27-24(21)20-13-7-9-15-23(20)30-2/h3-5,7,9,11-13,15,17-18,22H,6,8,10,14,16H2,1-2H3,(H,26,29)/t18-,22+/m1/s1.
What are the key properties of 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide?
1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 9273186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).