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

C23H20N2O3 — CID 4311074

IUPAC[5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccccc3)C(c3ccccc3)C2)c(O)c1
InChIInChI=1S/C23H20N2O3/c1-28-18-12-13-19(22(26)14-18)20-15-21(16-8-4-2-5-9-16)25(24-20)23(27)17-10-6-3-7-11-17/h2-14,21,26H,15H2,1H3
InChIKeyCRMIOFQKULWUAD-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.39
Rot. Bonds4

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

[5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 4311074) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is [5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID4311074
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name[5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccccc3)C(c3ccccc3)C2)c(O)c1
InChIInChI=1S/C23H20N2O3/c1-28-18-12-13-19(22(26)14-18)20-15-21(16-8-4-2-5-9-16)25(24-20)23(27)17-10-6-3-7-11-17/h2-14,21,26H,15H2,1H3
InChIKeyCRMIOFQKULWUAD-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_A(479)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 4311074) is [5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is COc1ccc(C2=NN(C(=O)c3ccccc3)C(c3ccccc3)C2)c(O)c1.
What is the InChIKey of [5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is CRMIOFQKULWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-18-12-13-19(22(26)14-18)20-15-21(16-8-4-2-5-9-16)25(24-20)23(27)17-10-6-3-7-11-17/h2-14,21,26H,15H2,1H3.
What are the key properties of [5-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[5-(2-hydroxy-4-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-(2-hydroxy-4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 4311074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).