N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide

C15H18N4O2 — CID 42949270

IUPACN-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2cccn2)cc1C
InChIInChI=1S/C15H18N4O2/c1-10-9-13(5-6-14(10)17-12(3)20)18-15(21)11(2)19-8-4-7-16-19/h4-9,11H,1-3H3,(H,17,20)(H,18,21)
InChIKeyHGLZJMGPKAXTQC-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.35
Rot. Bonds4

About N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide

N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 42949270) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide
PubChem CID42949270
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2cccn2)cc1C
InChIInChI=1S/C15H18N4O2/c1-10-9-13(5-6-14(10)17-12(3)20)18-15(21)11(2)19-8-4-7-16-19/h4-9,11H,1-3H3,(H,17,20)(H,18,21)
InChIKeyHGLZJMGPKAXTQC-UHFFFAOYSA-N
XLogP2.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide (CID 42949270) is N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide is CC(=O)Nc1ccc(NC(=O)C(C)n2cccn2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is HGLZJMGPKAXTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-9-13(5-6-14(10)17-12(3)20)18-15(21)11(2)19-8-4-7-16-19/h4-9,11H,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide?
N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 286.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 42949270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).