[5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C23H20N2O3 — CID 137175204

IUPAC[5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1cc(C2=NN(C(=O)c3ccccc3)C(c3ccccc3)C2)ccc1O
InChIInChI=1S/C23H20N2O3/c1-28-22-14-18(12-13-21(22)26)19-15-20(16-8-4-2-5-9-16)25(24-19)23(27)17-10-6-3-7-11-17/h2-14,20,26H,15H2,1H3
InChIKeyRTBIRNHZSSTSFR-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.39
Rot. Bonds4

About [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

[5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 137175204) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID137175204
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name[5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1cc(C2=NN(C(=O)c3ccccc3)C(c3ccccc3)C2)ccc1O
InChIInChI=1S/C23H20N2O3/c1-28-22-14-18(12-13-21(22)26)19-15-20(16-8-4-2-5-9-16)25(24-19)23(27)17-10-6-3-7-11-17/h2-14,20,26H,15H2,1H3
InChIKeyRTBIRNHZSSTSFR-UHFFFAOYSA-N
XLogP4.39
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Related Compounds

N-(2-(3,4-Dimethoxyphenyl)ethyl)-3,4-dihydro-3-methyl-4-oxo-1-phthalazineacetamide
CID 1072359
(3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 3755793
2-Benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 10980260
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
1-(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2954513
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
CID 11153159
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one
CID 11440401
[2-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-hydroxybenzoate
CID 4424311
(3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 3824617
(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 5201255
2-Benzyl-4-(3,4-dimethoxyphenyl)phthalazin-1-one
CID 10904782

Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 137175204) is [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is COc1cc(C2=NN(C(=O)c3ccccc3)C(c3ccccc3)C2)ccc1O.
What is the InChIKey of [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is RTBIRNHZSSTSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-22-14-18(12-13-21(22)26)19-15-20(16-8-4-2-5-9-16)25(24-19)23(27)17-10-6-3-7-11-17/h2-14,20,26H,15H2,1H3.
What are the key properties of [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 372.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 137175204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).