2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

C15H13FN2O — CID 5175667

IUPAC2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1C1=NNC(c2ccccc2F)C1
InChIInChI=1S/C15H13FN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-8,13,17,19H,9H2
InChIKeyXMDMAAGFWYQMJD-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.97
Rot. Bonds2

About 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 5175667) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID5175667
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1C1=NNC(c2ccccc2F)C1
InChIInChI=1S/C15H13FN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-8,13,17,19H,9H2
InChIKeyXMDMAAGFWYQMJD-UHFFFAOYSA-N
XLogP2.97
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-(2-fluorophenyl)-4,5-dihydro-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-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 5175667) is 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is Oc1ccccc1C1=NNC(c2ccccc2F)C1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is XMDMAAGFWYQMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-8,13,17,19H,9H2.
What are the key properties of 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 256.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 5175667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).