2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol

C16H14N2O — CID 775981

IUPAC2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
SMILESCc1ccccc1-c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C16H14N2O/c1-11-6-2-3-7-12(11)14-10-15(18-17-14)13-8-4-5-9-16(13)19/h2-10,19H,1H3,(H,17,18)
InChIKeyJWOVFXQVDVLYKI-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.76
Rot. Bonds2

About 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol

2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 775981) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
PubChem CID775981
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
SMILESCc1ccccc1-c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C16H14N2O/c1-11-6-2-3-7-12(11)14-10-15(18-17-14)13-8-4-5-9-16(13)19/h2-10,19H,1H3,(H,17,18)
InChIKeyJWOVFXQVDVLYKI-UHFFFAOYSA-N
XLogP3.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(2-methylphenyl)-1H-pyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol (CID 775981) is 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is Cc1ccccc1-c1cc(-c2ccccc2O)n[nH]1.
What is the InChIKey of 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is JWOVFXQVDVLYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-6-2-3-7-12(11)14-10-15(18-17-14)13-8-4-5-9-16(13)19/h2-10,19H,1H3,(H,17,18).
What are the key properties of 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 250.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 775981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).