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

C18H18N2O2 — CID 54583763

IUPAC[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
SMILESCC1=NN(C(=O)c2ccc(C)cc2)C(c2ccccc2O)C1
InChIInChI=1S/C18H18N2O2/c1-12-7-9-14(10-8-12)18(22)20-16(11-13(2)19-20)15-5-3-4-6-17(15)21/h3-10,16,21H,11H2,1-2H3
InChIKeyCONJYSVEBRCORZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.66
Rot. Bonds2

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

[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone (PubChem CID 54583763) 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]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
PubChem CID54583763
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
SMILESCC1=NN(C(=O)c2ccc(C)cc2)C(c2ccccc2O)C1
InChIInChI=1S/C18H18N2O2/c1-12-7-9-14(10-8-12)18(22)20-16(11-13(2)19-20)15-5-3-4-6-17(15)21/h3-10,16,21H,11H2,1-2H3
InChIKeyCONJYSVEBRCORZ-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'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone (CID 54583763) is [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone is CC1=NN(C(=O)c2ccc(C)cc2)C(c2ccccc2O)C1.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is CONJYSVEBRCORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-7-9-14(10-8-12)18(22)20-16(11-13(2)19-20)15-5-3-4-6-17(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]-(4-methylphenyl)methanone?
[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-(4-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]-(4-methylphenyl)methanone is sourced from PubChem (CID 54583763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).