1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid

C14H13FN2O2 — CID 155894486

IUPAC1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESO=C(O)C1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C14H13FN2O2/c15-11-5-1-2-6-13(11)17-12-7-3-4-9(14(18)19)10(12)8-16-17/h1-2,5-6,8-9H,3-4,7H2,(H,18,19)
InChIKeyGBCWOMVKAKRVJI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.52
Rot. Bonds2

About 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid

1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 155894486) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID155894486
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESO=C(O)C1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C14H13FN2O2/c15-11-5-1-2-6-13(11)17-12-7-3-4-9(14(18)19)10(12)8-16-17/h1-2,5-6,8-9H,3-4,7H2,(H,18,19)
InChIKeyGBCWOMVKAKRVJI-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 96730162
[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine
CID 82593098
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
CID 24819235
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 24817447
(R)-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropane-2-sulfinamide
CID 129104774
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyridine-2-carboxamide
CID 129104732
3-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 160839490
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 129104749
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 24791226
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24817868
N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 42384413

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 155894486) is 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid is O=C(O)C1CCCc2c1cnn2-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is GBCWOMVKAKRVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-5-1-2-6-13(11)17-12-7-3-4-9(14(18)19)10(12)8-16-17/h1-2,5-6,8-9H,3-4,7H2,(H,18,19).
What are the key properties of 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 155894486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).