4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol

C16H14N2O2 — CID 936920

IUPAC4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol
SMILESCc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-10-15(11-5-3-2-4-6-11)16(18-17-10)13-8-7-12(19)9-14(13)20/h2-9,19-20H,1H3,(H,17,18)
InChIKeyIWLRJFQHIOQVEP-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.46
Rot. Bonds2

About 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol

4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol (PubChem CID 936920) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol
PubChem CID936920
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol
SMILESCc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-10-15(11-5-3-2-4-6-11)16(18-17-10)13-8-7-12(19)9-14(13)20/h2-9,19-20H,1H3,(H,17,18)
InChIKeyIWLRJFQHIOQVEP-UHFFFAOYSA-N
XLogP3.46
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol 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 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol (CID 936920) is 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol is Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccccc1.
What is the InChIKey of 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol?
The InChIKey is IWLRJFQHIOQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-15(11-5-3-2-4-6-11)16(18-17-10)13-8-7-12(19)9-14(13)20/h2-9,19-20H,1H3,(H,17,18).
What are the key properties of 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol?
4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol has a molecular weight of 266.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 936920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).