[1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol

C25H23FN2O — CID 15230055

IUPAC[1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
SMILESOCc1nn(-c2ccc(F)cc2)c2c1CCCC2Cc1cccc2ccccc12
InChIInChI=1S/C25H23FN2O/c26-20-11-13-21(14-12-20)28-25-19(8-4-10-23(25)24(16-29)27-28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,19,29H,4,8,10,15-16H2
InChIKeyYBFQBYPQWMHSKK-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.32
Rot. Bonds4

About [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol

[1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol (PubChem CID 15230055) has the molecular formula C25H23FN2O and a molecular weight of 386.47 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
PubChem CID15230055
Molecular FormulaC25H23FN2O
Molecular Weight386.47 g/mol
Exact Mass386.18
IUPAC Name[1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol
SMILESOCc1nn(-c2ccc(F)cc2)c2c1CCCC2Cc1cccc2ccccc12
InChIInChI=1S/C25H23FN2O/c26-20-11-13-21(14-12-20)28-25-19(8-4-10-23(25)24(16-29)27-28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,19,29H,4,8,10,15-16H2
InChIKeyYBFQBYPQWMHSKK-UHFFFAOYSA-N
XLogP5.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-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 [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol (CID 15230055) is [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol is OCc1nn(-c2ccc(F)cc2)c2c1CCCC2Cc1cccc2ccccc12.
What is the InChIKey of [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The InChIKey is YBFQBYPQWMHSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O/c26-20-11-13-21(14-12-20)28-25-19(8-4-10-23(25)24(16-29)27-28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,19,29H,4,8,10,15-16H2.
What are the key properties of [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol?
[1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol has a molecular weight of 386.47 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]methanol is sourced from PubChem (CID 15230055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).