1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide

C25H28N4O3 — CID 86934297

IUPAC1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)N(CC(=O)N3CCCCC3)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-19-6-8-20(9-7-19)28(18-24(30)27-15-4-3-5-16-27)25(31)23-14-17-29(26-23)21-10-12-22(32-2)13-11-21/h6-14,17H,3-5,15-16,18H2,1-2H3
InChIKeyGDEUQCKWOZANFO-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide

1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 86934297) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID86934297
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)N(CC(=O)N3CCCCC3)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-19-6-8-20(9-7-19)28(18-24(30)27-15-4-3-5-16-27)25(31)23-14-17-29(26-23)21-10-12-22(32-2)13-11-21/h6-14,17H,3-5,15-16,18H2,1-2H3
InChIKeyGDEUQCKWOZANFO-UHFFFAOYSA-N
XLogP3.85
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide
CID 86934156
3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934270
1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 154758120
2-[N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylanilino]-1-piperidin-1-ylethanone
CID 86937009
(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 86768279
2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86934267
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86934196
2-(4-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220045
N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide
CID 22570010
N-(4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide
CID 778408
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1148691
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide (CID 86934297) is 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide is COc1ccc(-n2ccc(C(=O)N(CC(=O)N3CCCCC3)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is GDEUQCKWOZANFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-19-6-8-20(9-7-19)28(18-24(30)27-15-4-3-5-16-27)25(31)23-14-17-29(26-23)21-10-12-22(32-2)13-11-21/h6-14,17H,3-5,15-16,18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 86934297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).