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

C19H20N4O — CID 137070239

IUPAC5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one
SMILESCc1ccc(NN=Cc2c(C)[nH]n(-c3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C19H20N4O/c1-13-7-9-16(10-8-13)21-20-12-18-15(3)22-23(19(18)24)17-6-4-5-14(2)11-17/h4-12,21-22H,1-3H3
InChIKeyYBRQVSYAOFHGFY-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.54
Rot. Bonds4

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

5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one (PubChem CID 137070239) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one
PubChem CID137070239
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one
SMILESCc1ccc(NN=Cc2c(C)[nH]n(-c3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C19H20N4O/c1-13-7-9-16(10-8-13)21-20-12-18-15(3)22-23(19(18)24)17-6-4-5-14(2)11-17/h4-12,21-22H,1-3H3
InChIKeyYBRQVSYAOFHGFY-UHFFFAOYSA-N
XLogP3.54
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one (CID 137070239) is 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one is Cc1ccc(NN=Cc2c(C)[nH]n(-c3cccc(C)c3)c2=O)cc1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one?
The InChIKey is YBRQVSYAOFHGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-7-9-16(10-8-13)21-20-12-18-15(3)22-23(19(18)24)17-6-4-5-14(2)11-17/h4-12,21-22H,1-3H3.
What are the key properties of 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one?
5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one has a molecular weight of 320.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one is sourced from PubChem (CID 137070239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).