2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol

C21H18N2O — CID 135772224

IUPAC2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H18N2O/c24-21-14-8-7-13-18(21)19-15-20(16-9-3-1-4-10-16)23(22-19)17-11-5-2-6-12-17/h1-14,20,24H,15H2/t20-/m1/s1
InChIKeySGFFIDOKYSINHW-HXUWFJFHSA-N
MW314.39 g/mol
LogP4.75
Rot. Bonds3

About 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol

2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 135772224) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
PubChem CID135772224
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H18N2O/c24-21-14-8-7-13-18(21)19-15-20(16-9-3-1-4-10-16)23(22-19)17-11-5-2-6-12-17/h1-14,20,24H,15H2/t20-/m1/s1
InChIKeySGFFIDOKYSINHW-HXUWFJFHSA-N
XLogP4.75
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol 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

(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 101464946
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
2-[3-(4-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732265
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
6-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenalene-1,3-dione
CID 20685192
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 170722101
N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 11405575
2-[3-(2-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732263
(2-chlorophenyl)-[(3S)-5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 136790920
(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-amine
CID 92982843

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol (CID 135772224) is 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol is Oc1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is SGFFIDOKYSINHW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21-14-8-7-13-18(21)19-15-20(16-9-3-1-4-10-16)23(22-19)17-11-5-2-6-12-17/h1-14,20,24H,15H2/t20-/m1/s1.
What are the key properties of 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol?
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 314.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 135772224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).