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

C24H26N4O2 — CID 86934156

IUPACN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-19-10-12-20(13-11-19)27(18-23(29)26-15-6-3-7-16-26)24(30)22-14-17-28(25-22)21-8-4-2-5-9-21/h2,4-5,8-14,17H,3,6-7,15-16,18H2,1H3
InChIKeyRRTSVIJTDLNOBO-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.84
Rot. Bonds5

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

N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 86934156) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide
PubChem CID86934156
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-19-10-12-20(13-11-19)27(18-23(29)26-15-6-3-7-16-26)24(30)22-14-17-28(25-22)21-8-4-2-5-9-21/h2,4-5,8-14,17H,3,6-7,15-16,18H2,1H3
InChIKeyRRTSVIJTDLNOBO-UHFFFAOYSA-N
XLogP3.84
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 86934297
1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 154758120
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86934196
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116530
2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86934267
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 86934182
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide (CID 86934156) is N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is RRTSVIJTDLNOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-19-10-12-20(13-11-19)27(18-23(29)26-15-6-3-7-16-26)24(30)22-14-17-28(25-22)21-8-4-2-5-9-21/h2,4-5,8-14,17H,3,6-7,15-16,18H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide?
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 86934156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).