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

C23H20N2O2 — CID 3500726

IUPAC[5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2N=C(c3ccccc3O)CC2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)23(27)25-21(17-7-3-2-4-8-17)15-20(24-25)19-9-5-6-10-22(19)26/h2-14,21,26H,15H2,1H3
InChIKeyYTLMWXIAVDJGFX-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.69
Rot. Bonds3

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

[5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone (PubChem CID 3500726) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
PubChem CID3500726
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name[5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2N=C(c3ccccc3O)CC2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)23(27)25-21(17-7-3-2-4-8-17)15-20(24-25)19-9-5-6-10-22(19)26/h2-14,21,26H,15H2,1H3
InChIKeyYTLMWXIAVDJGFX-UHFFFAOYSA-N
XLogP4.69
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
CID 624420
(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
CID 3098837
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937527
(3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 3824617
(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 5096771
(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 5201255
1-[3-(4-Hydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135514579
(3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2954637
(3-(2-hydroxy-4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 4311074
[3-(2-Hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2972359

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone (CID 3500726) is [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2N=C(c3ccccc3O)CC2c2ccccc2)cc1.
What is the InChIKey of [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is YTLMWXIAVDJGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)23(27)25-21(17-7-3-2-4-8-17)15-20(24-25)19-9-5-6-10-22(19)26/h2-14,21,26H,15H2,1H3.
What are the key properties of [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
[5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone has a molecular weight of 356.43 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 3500726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).