[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone

C18H18N2O2 — CID 54583764

IUPAC[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
SMILESCC1=NN(C(=O)c2ccccc2C)C(c2ccccc2O)C1
InChIInChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)18(22)20-16(11-13(2)19-20)15-9-5-6-10-17(15)21/h3-10,16,21H,11H2,1-2H3
InChIKeyWUFOBRRIKKZNFY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.66
Rot. Bonds2

About [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone

[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone (PubChem CID 54583764) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
PubChem CID54583764
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
SMILESCC1=NN(C(=O)c2ccccc2C)C(c2ccccc2O)C1
InChIInChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)18(22)20-16(11-13(2)19-20)15-9-5-6-10-17(15)21/h3-10,16,21H,11H2,1-2H3
InChIKeyWUFOBRRIKKZNFY-UHFFFAOYSA-N
XLogP3.66
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone 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-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone (CID 54583764) is [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone is CC1=NN(C(=O)c2ccccc2C)C(c2ccccc2O)C1.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The InChIKey is WUFOBRRIKKZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)18(22)20-16(11-13(2)19-20)15-9-5-6-10-17(15)21/h3-10,16,21H,11H2,1-2H3.
What are the key properties of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 54583764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).