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

C22H18N2O3 — CID 135971399

IUPAC[5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2O)CC1c1ccc(O)cc1
InChIInChI=1S/C22H18N2O3/c25-17-12-10-15(11-13-17)20-14-19(18-8-4-5-9-21(18)26)23-24(20)22(27)16-6-2-1-3-7-16/h1-13,20,25-26H,14H2
InChIKeyYTIZNQVDYYEKID-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.09
Rot. Bonds3

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

[5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 135971399) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID135971399
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name[5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2O)CC1c1ccc(O)cc1
InChIInChI=1S/C22H18N2O3/c25-17-12-10-15(11-13-17)20-14-19(18-8-4-5-9-21(18)26)23-24(20)22(27)16-6-2-1-3-7-16/h1-13,20,25-26H,14H2
InChIKeyYTIZNQVDYYEKID-UHFFFAOYSA-N
XLogP4.09
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-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

Related Compounds

CID 624420
CID 624420
CID 3098837
CID 3098837
CID 2953068
CID 2953068
CID 135509938
CID 135509938
CID 6737699
CID 6737699
CID 52937527
CID 52937527
CID 3824617
CID 3824617
CID 5096771
CID 5096771
CID 5201255
CID 5201255
CID 135499335
CID 135499335
CID 135514579
CID 135514579
CID 2954637
CID 2954637

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 135971399) is [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccccc2O)CC1c1ccc(O)cc1.
What is the InChIKey of [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is YTIZNQVDYYEKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-17-12-10-15(11-13-17)20-14-19(18-8-4-5-9-21(18)26)23-24(20)22(27)16-6-2-1-3-7-16/h1-13,20,25-26H,14H2.
What are the key properties of [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 358.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 135971399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).