[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol

C14H15FN2O — CID 14965140

IUPAC[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
SMILESOCc1c2c(nn1-c1ccc(F)cc1)CCCC2
InChIInChI=1S/C14H15FN2O/c15-10-5-7-11(8-6-10)17-14(9-18)12-3-1-2-4-13(12)16-17/h5-8,18H,1-4,9H2
InChIKeyXXNAWVYAPXOJIX-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.38
Rot. Bonds2

About [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol

[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol (PubChem CID 14965140) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
PubChem CID14965140
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
SMILESOCc1c2c(nn1-c1ccc(F)cc1)CCCC2
InChIInChI=1S/C14H15FN2O/c15-10-5-7-11(8-6-10)17-14(9-18)12-3-1-2-4-13(12)16-17/h5-8,18H,1-4,9H2
InChIKeyXXNAWVYAPXOJIX-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]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 [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol (CID 14965140) is [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol is OCc1c2c(nn1-c1ccc(F)cc1)CCCC2.
What is the InChIKey of [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The InChIKey is XXNAWVYAPXOJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-10-5-7-11(8-6-10)17-14(9-18)12-3-1-2-4-13(12)16-17/h5-8,18H,1-4,9H2.
What are the key properties of [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol has a molecular weight of 246.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol is sourced from PubChem (CID 14965140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).