4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide

C22H24N4O2 — CID 3549252

IUPAC4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
SMILESCCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-21(27)24-20-15-16(2)25-26(20)19-11-9-18(10-12-19)22(28)23-14-13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyONPYUITZEGOHJT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.50
Rot. Bonds7

About 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide

4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide (PubChem CID 3549252) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
PubChem CID3549252
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
SMILESCCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-21(27)24-20-15-16(2)25-26(20)19-11-9-18(10-12-19)22(28)23-14-13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyONPYUITZEGOHJT-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide 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

4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid
CID 163327768
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide
CID 3332935
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 43036802
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide (CID 3549252) is 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide is CCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is ONPYUITZEGOHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-21(27)24-20-15-16(2)25-26(20)19-11-9-18(10-12-19)22(28)23-14-13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide?
4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 3549252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).