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

C25H24N2O5 — CID 4638308

IUPAC[3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccccc3)C(c3ccc(OC)c(OC)c3)C2)c(O)c1
InChIInChI=1S/C25H24N2O5/c1-30-18-10-11-19(22(28)14-18)20-15-21(17-9-12-23(31-2)24(13-17)32-3)27(26-20)25(29)16-7-5-4-6-8-16/h4-14,21,28H,15H2,1-3H3
InChIKeyLJZJYUMQIAGXKX-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.41
Rot. Bonds6

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

[3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 4638308) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID4638308
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccccc3)C(c3ccc(OC)c(OC)c3)C2)c(O)c1
InChIInChI=1S/C25H24N2O5/c1-30-18-10-11-19(22(28)14-18)20-15-21(17-9-12-23(31-2)24(13-17)32-3)27(26-20)25(29)16-7-5-4-6-8-16/h4-14,21,28H,15H2,1-3H3
InChIKeyLJZJYUMQIAGXKX-UHFFFAOYSA-N
XLogP4.41
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 4638308) is [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is COc1ccc(C2=NN(C(=O)c3ccccc3)C(c3ccc(OC)c(OC)c3)C2)c(O)c1.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is LJZJYUMQIAGXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-30-18-10-11-19(22(28)14-18)20-15-21(17-9-12-23(31-2)24(13-17)32-3)27(26-20)25(29)16-7-5-4-6-8-16/h4-14,21,28H,15H2,1-3H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 432.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 4638308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).