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

C22H18N2O2 — CID 2972359

IUPAC[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1O
InChIInChI=1S/C22H18N2O2/c25-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)23-24(20)22(26)17-11-5-2-6-12-17/h1-14,20,25H,15H2
InChIKeyFSRNJBKLLKZKNJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.38
Rot. Bonds3

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

[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 2972359) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID2972359
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1O
InChIInChI=1S/C22H18N2O2/c25-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)23-24(20)22(26)17-11-5-2-6-12-17/h1-14,20,25H,15H2
InChIKeyFSRNJBKLLKZKNJ-UHFFFAOYSA-N
XLogP4.38
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 2972359) is [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is FSRNJBKLLKZKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)23-24(20)22(26)17-11-5-2-6-12-17/h1-14,20,25H,15H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 342.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 2972359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).