1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide

C26H30N4O2 — CID 78901048

IUPAC1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(=O)N2CCCCC2)cc1C
InChIInChI=1S/C26H30N4O2/c1-19-11-12-22(15-20(19)2)25-23(18-30(28-25)17-21-9-5-3-6-10-21)26(32)27-16-24(31)29-13-7-4-8-14-29/h3,5-6,9-12,15,18H,4,7-8,13-14,16-17H2,1-2H3,(H,27,32)
InChIKeyPMBNPQYIKFOEAY-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.96
Rot. Bonds6

About 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide

1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 78901048) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID78901048
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(=O)N2CCCCC2)cc1C
InChIInChI=1S/C26H30N4O2/c1-19-11-12-22(15-20(19)2)25-23(18-30(28-25)17-21-9-5-3-6-10-21)26(32)27-16-24(31)29-13-7-4-8-14-29/h3,5-6,9-12,15,18H,4,7-8,13-14,16-17H2,1-2H3,(H,27,32)
InChIKeyPMBNPQYIKFOEAY-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide
CID 112769964
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
[(3R)-3-aminopyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119410389
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
CID 9227116
[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119484360
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 110312211
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide (CID 78901048) is 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(=O)N2CCCCC2)cc1C.
What is the InChIKey of 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is PMBNPQYIKFOEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-11-12-22(15-20(19)2)25-23(18-30(28-25)17-21-9-5-3-6-10-21)26(32)27-16-24(31)29-13-7-4-8-14-29/h3,5-6,9-12,15,18H,4,7-8,13-14,16-17H2,1-2H3,(H,27,32).
What are the key properties of 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78901048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).