1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

C18H18N2O3 — CID 53323627

IUPAC1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1cc(C2CC(c3ccccc3)=NN2C(C)=O)ccc1O
InChIInChI=1S/C18H18N2O3/c1-12(21)20-16(14-8-9-17(22)18(10-14)23-2)11-15(19-20)13-6-4-3-5-7-13/h3-10,16,22H,11H2,1-2H3
InChIKeyLBHCBNVUCHSTNV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.10
Rot. Bonds3

About 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 53323627) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID53323627
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1cc(C2CC(c3ccccc3)=NN2C(C)=O)ccc1O
InChIInChI=1S/C18H18N2O3/c1-12(21)20-16(14-8-9-17(22)18(10-14)23-2)11-15(19-20)13-6-4-3-5-7-13/h3-10,16,22H,11H2,1-2H3
InChIKeyLBHCBNVUCHSTNV-UHFFFAOYSA-N
XLogP3.10
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11580635
1-(3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11673215
N-formyl-5-(-4'-methoxyphenyl)-3-phenylpyrazoline (1g)
CID 12671426
N-formyl-5-(-3'-methoxyphenyl)-3-phenylpyrazoline (1f)
CID 84973177
1-(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2954513
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
CID 11153159
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
(4-hydroxy-3-methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3149917
1-acetyl-5-(1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4246984
(3,4-Dimethoxyphenyl)(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 600721

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 53323627) is 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is COc1cc(C2CC(c3ccccc3)=NN2C(C)=O)ccc1O.
What is the InChIKey of 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is LBHCBNVUCHSTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(21)20-16(14-8-9-17(22)18(10-14)23-2)11-15(19-20)13-6-4-3-5-7-13/h3-10,16,22H,11H2,1-2H3.
What are the key properties of 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 310.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 53323627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).