3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

C21H20N4O — CID 6863157

IUPAC3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)=C\c1ccccc1
InChIInChI=1S/C21H20N4O/c1-15-8-10-18(11-9-15)19-13-20(24-23-19)21(26)25-22-14-16(2)12-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24)(H,25,26)/b16-12+,22-14+
InChIKeyFQYXEUGKGRQFCK-UKTRXVHSSA-N
MW344.42 g/mol
LogP4.20
Rot. Bonds5

About 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide (PubChem CID 6863157) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
PubChem CID6863157
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)=C\c1ccccc1
InChIInChI=1S/C21H20N4O/c1-15-8-10-18(11-9-15)19-13-20(24-23-19)21(26)25-22-14-16(2)12-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24)(H,25,26)/b16-12+,22-14+
InChIKeyFQYXEUGKGRQFCK-UKTRXVHSSA-N
XLogP4.20
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide 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 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide (CID 6863157) is 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is CC(/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)=C\c1ccccc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is FQYXEUGKGRQFCK-UKTRXVHSSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-8-10-18(11-9-15)19-13-20(24-23-19)21(26)25-22-14-16(2)12-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24)(H,25,26)/b16-12+,22-14+.
What are the key properties of 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6863157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).