6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid

C19H23FN2O2 — CID 14576248

IUPAC6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid
SMILESO=C(O)CCCCCc1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C19H23FN2O2/c20-14-10-12-15(13-11-14)22-18-8-5-4-6-16(18)17(21-22)7-2-1-3-9-19(23)24/h10-13H,1-9H2,(H,23,24)
InChIKeyBIVXPGOPZKWGLA-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.08
Rot. Bonds7

About 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid

6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid (PubChem CID 14576248) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid
PubChem CID14576248
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid
SMILESO=C(O)CCCCCc1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C19H23FN2O2/c20-14-10-12-15(13-11-14)22-18-8-5-4-6-16(18)17(21-22)7-2-1-3-9-19(23)24/h10-13H,1-9H2,(H,23,24)
InChIKeyBIVXPGOPZKWGLA-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid 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 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid?
The IUPAC name of 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid (CID 14576248) is 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid.
What is the SMILES notation for 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid?
The canonical SMILES for 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid is O=C(O)CCCCCc1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid?
The InChIKey is BIVXPGOPZKWGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-14-10-12-15(13-11-14)22-18-8-5-4-6-16(18)17(21-22)7-2-1-3-9-19(23)24/h10-13H,1-9H2,(H,23,24).
What are the key properties of 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid?
6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid has a molecular weight of 330.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid is sourced from PubChem (CID 14576248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).