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

C16H15FN2O2 — CID 3751846

IUPAC4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCOc1ccccc1C1CC(c2cc(F)ccc2O)=NN1
InChIInChI=1S/C16H15FN2O2/c1-21-16-5-3-2-4-11(16)13-9-14(19-18-13)12-8-10(17)6-7-15(12)20/h2-8,13,18,20H,9H2,1H3
InChIKeyWVENHQIHNLWYFN-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.98
Rot. Bonds3

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

4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 3751846) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID3751846
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCOc1ccccc1C1CC(c2cc(F)ccc2O)=NN1
InChIInChI=1S/C16H15FN2O2/c1-21-16-5-3-2-4-11(16)13-9-14(19-18-13)12-8-10(17)6-7-15(12)20/h2-8,13,18,20H,9H2,1H3
InChIKeyWVENHQIHNLWYFN-UHFFFAOYSA-N
XLogP2.98
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[5-(2-methoxyphenyl)-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 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 3751846) is 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is COc1ccccc1C1CC(c2cc(F)ccc2O)=NN1.
What is the InChIKey of 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is WVENHQIHNLWYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-16-5-3-2-4-11(16)13-9-14(19-18-13)12-8-10(17)6-7-15(12)20/h2-8,13,18,20H,9H2,1H3.
What are the key properties of 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 286.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 3751846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).