4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C9H11FN2O2 — CID 105451339

IUPAC4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCCC2F
InChIInChI=1S/C9H11FN2O2/c1-12-6-4-2-3-5(10)7(6)8(11-12)9(13)14/h5H,2-4H2,1H3,(H,13,14)
InChIKeyXERQUWAIKXCFIH-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.47
Rot. Bonds1

About 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 105451339) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID105451339
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCCC2F
InChIInChI=1S/C9H11FN2O2/c1-12-6-4-2-3-5(10)7(6)8(11-12)9(13)14/h5H,2-4H2,1H3,(H,13,14)
InChIKeyXERQUWAIKXCFIH-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 24271319
1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 24271363
1H-Pyrazolo(4,3-c)pyridine-3-carboxylic acid, 1-ethyl-4,5,6,7-tetrahydro-
CID 51072296
5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69238120
1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 82601243
2-ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 6498680
1-Methyl-5-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 51072211
1-Ethyl-4,5,6,7-tetrahydro-1H-pyrazolo(4,3-c)pyridine-3-carboxylic acid hydrochloride hydrate
CID 75531047
3-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyridine-2-carboxylic acid
CID 84110140
2-tert-butyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 105479371

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 105451339) is 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCCC2F.
What is the InChIKey of 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is XERQUWAIKXCFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-12-6-4-2-3-5(10)7(6)8(11-12)9(13)14/h5H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 198.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 105451339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).