2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol

C18H16N2O — CID 155550603

IUPAC2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H16N2O/c1-2-6-14-9-10-18(21)16(13-14)17-11-12-20(19-17)15-7-4-3-5-8-15/h2-5,7-13,21H,1,6H2
InChIKeyHOYMQYRPAOQVDE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.97
Rot. Bonds4

About 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol

2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol (PubChem CID 155550603) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol
PubChem CID155550603
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H16N2O/c1-2-6-14-9-10-18(21)16(13-14)17-11-12-20(19-17)15-7-4-3-5-8-15/h2-5,7-13,21H,1,6H2
InChIKeyHOYMQYRPAOQVDE-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol 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-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol?
The IUPAC name of 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol (CID 155550603) is 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol?
The InChIKey is HOYMQYRPAOQVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-6-14-9-10-18(21)16(13-14)17-11-12-20(19-17)15-7-4-3-5-8-15/h2-5,7-13,21H,1,6H2.
What are the key properties of 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol?
2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol has a molecular weight of 276.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-3-yl)-4-prop-2-enylphenol is sourced from PubChem (CID 155550603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).