1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid

C15H15FN2O2 — CID 115058211

IUPAC1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c2c1CCCC2C(=O)O
InChIInChI=1S/C15H15FN2O2/c1-9-12-3-2-4-13(15(19)20)14(12)18(17-9)11-7-5-10(16)6-8-11/h5-8,13H,2-4H2,1H3,(H,19,20)
InChIKeyMAOJYPDHQZEDQC-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.82
Rot. Bonds2

About 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid

1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid (PubChem CID 115058211) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
PubChem CID115058211
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c2c1CCCC2C(=O)O
InChIInChI=1S/C15H15FN2O2/c1-9-12-3-2-4-13(15(19)20)14(12)18(17-9)11-7-5-10(16)6-8-11/h5-8,13H,2-4H2,1H3,(H,19,20)
InChIKeyMAOJYPDHQZEDQC-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-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

1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 115058216
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161
1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909078
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597209
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 30823116
(3S)-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119113579
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-(oxolane-2-carbonylamino)acetic acid
CID 146081023
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 84611795
4-[1-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135652759
2-[cyclopropyl-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119202444

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid (CID 115058211) is 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid is Cc1nn(-c2ccc(F)cc2)c2c1CCCC2C(=O)O.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The InChIKey is MAOJYPDHQZEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-12-3-2-4-13(15(19)20)14(12)18(17-9)11-7-5-10(16)6-8-11/h5-8,13H,2-4H2,1H3,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid is sourced from PubChem (CID 115058211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).