5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one

C19H19N3O — CID 711589

IUPAC5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one
SMILESCc1ccc(/N=C/c2c(C)[nH]n(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C19H19N3O/c1-13-4-8-16(9-5-13)20-12-18-15(3)21-22(19(18)23)17-10-6-14(2)7-11-17/h4-12,21H,1-3H3/b20-12+
InChIKeyMWODGBMVIJWIHK-UDWIEESQSA-N
MW305.38 g/mol
LogP3.84
Rot. Bonds3

About 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one

5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one (PubChem CID 711589) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one
PubChem CID711589
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one
SMILESCc1ccc(/N=C/c2c(C)[nH]n(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C19H19N3O/c1-13-4-8-16(9-5-13)20-12-18-15(3)21-22(19(18)23)17-10-6-14(2)7-11-17/h4-12,21H,1-3H3/b20-12+
InChIKeyMWODGBMVIJWIHK-UDWIEESQSA-N
XLogP3.84
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one 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 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one (CID 711589) is 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one is Cc1ccc(/N=C/c2c(C)[nH]n(-c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one?
The InChIKey is MWODGBMVIJWIHK-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-4-8-16(9-5-13)20-12-18-15(3)21-22(19(18)23)17-10-6-14(2)7-11-17/h4-12,21H,1-3H3/b20-12+.
What are the key properties of 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one?
5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one has a molecular weight of 305.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)iminomethyl]-1H-pyrazol-3-one is sourced from PubChem (CID 711589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).