5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid

C13H10FN3O2 — CID 136986306

IUPAC5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]c2ccc(F)cc2c1-c1[nH]ncc1C(=O)O
InChIInChI=1S/C13H10FN3O2/c1-6-11(12-9(13(18)19)5-15-17-12)8-4-7(14)2-3-10(8)16-6/h2-5,16H,1H3,(H,15,17)(H,18,19)
InChIKeyHRKDJNVOPCGRDO-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.70
Rot. Bonds2

About 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid

5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 136986306) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID136986306
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]c2ccc(F)cc2c1-c1[nH]ncc1C(=O)O
InChIInChI=1S/C13H10FN3O2/c1-6-11(12-9(13(18)19)5-15-17-12)8-4-7(14)2-3-10(8)16-6/h2-5,16H,1H3,(H,15,17)(H,18,19)
InChIKeyHRKDJNVOPCGRDO-UHFFFAOYSA-N
XLogP2.70
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 136986306) is 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid is Cc1[nH]c2ccc(F)cc2c1-c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is HRKDJNVOPCGRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c1-6-11(12-9(13(18)19)5-15-17-12)8-4-7(14)2-3-10(8)16-6/h2-5,16H,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 259.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 136986306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).