[3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol

C17H15FN2O2 — CID 155672083

IUPAC[3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccnn2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H15FN2O2/c18-16-10-13(11-21)6-7-17(16)22-12-15-8-9-19-20(15)14-4-2-1-3-5-14/h1-10,21H,11-12H2
InChIKeyZWCVBPUMJJUAEO-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.08
Rot. Bonds5

About [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol

[3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol (PubChem CID 155672083) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
PubChem CID155672083
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name[3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccnn2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H15FN2O2/c18-16-10-13(11-21)6-7-17(16)22-12-15-8-9-19-20(15)14-4-2-1-3-5-14/h1-10,21H,11-12H2
InChIKeyZWCVBPUMJJUAEO-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol 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 [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol (CID 155672083) is [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol is OCc1ccc(OCc2ccnn2-c2ccccc2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is ZWCVBPUMJJUAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-16-10-13(11-21)6-7-17(16)22-12-15-8-9-19-20(15)14-4-2-1-3-5-14/h1-10,21H,11-12H2.
What are the key properties of [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
[3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 298.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(2-phenylpyrazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 155672083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).