5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one

C18H18N2O4 — CID 16765792

IUPAC5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one
SMILESCOc1ccc(-c2cc(=O)n(-c3ccccc3OC)[nH]2)cc1OC
InChIInChI=1S/C18H18N2O4/c1-22-15-7-5-4-6-14(15)20-18(21)11-13(19-20)12-8-9-16(23-2)17(10-12)24-3/h4-11,19H,1-3H3
InChIKeyXZDXUMADSJTWRZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.86
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one

5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one (PubChem CID 16765792) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one
PubChem CID16765792
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one
SMILESCOc1ccc(-c2cc(=O)n(-c3ccccc3OC)[nH]2)cc1OC
InChIInChI=1S/C18H18N2O4/c1-22-15-7-5-4-6-14(15)20-18(21)11-13(19-20)12-8-9-16(23-2)17(10-12)24-3/h4-11,19H,1-3H3
InChIKeyXZDXUMADSJTWRZ-UHFFFAOYSA-N
XLogP2.86
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one
CID 63034419
2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504423
2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
CID 53229468
2,5-bis(4-methoxyphenyl)-1H-pyrazol-3-one
CID 5311780
2-(2-methoxyphenyl)-4,5-dimethyl-1H-pyrazol-3-one
CID 66023365
6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
CID 106514360
2-[4-methoxy-6-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 53386410
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624
4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one
CID 83882338
2-(2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66023164

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one (CID 16765792) is 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one is COc1ccc(-c2cc(=O)n(-c3ccccc3OC)[nH]2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one?
The InChIKey is XZDXUMADSJTWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-15-7-5-4-6-14(15)20-18(21)11-13(19-20)12-8-9-16(23-2)17(10-12)24-3/h4-11,19H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one?
5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one has a molecular weight of 326.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 16765792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).