1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide

C22H24N4O2 — CID 9224501

IUPAC1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCNC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C22H24N4O2/c1-3-23-20(27)13-24-22(28)19-15-26(14-17-7-5-4-6-8-17)25-21(19)18-11-9-16(2)10-12-18/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHZEIJFCOITVXBK-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.77
Rot. Bonds7

About 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide

1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 9224501) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID9224501
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCNC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C22H24N4O2/c1-3-23-20(27)13-24-22(28)19-15-26(14-17-7-5-4-6-8-17)25-21(19)18-11-9-16(2)10-12-18/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHZEIJFCOITVXBK-UHFFFAOYSA-N
XLogP2.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
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
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
(E)-N-[2-(ethylamino)-2-oxoethyl]-3-[1-[(4-methylphenyl)methyl]-3-phenylpyrazol-4-yl]prop-2-enamide
CID 9489312
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 120944204
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 9224501) is 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide is CCNC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1.
What is the InChIKey of 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is HZEIJFCOITVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-23-20(27)13-24-22(28)19-15-26(14-17-7-5-4-6-8-17)25-21(19)18-11-9-16(2)10-12-18/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide?
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 9224501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).