5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid

C12H9N3O2 — CID 3833115

IUPAC3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESC1=CC=C2C(=C1)C(=CN2)C3=NNC(=C3)C(=O)O
InChIInChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,14,15)(H,16,17)
InChIKeyLWCOJZLPIRKQIZ-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.90
Rot. Bonds2

About 5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid

5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 3833115) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID3833115
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESC1=CC=C2C(=C1)C(=CN2)C3=NNC(=C3)C(=O)O
InChIInChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,14,15)(H,16,17)
InChIKeyLWCOJZLPIRKQIZ-UHFFFAOYSA-N
XLogP1.90
TPSA81.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity310

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(1H-indol-3-yl)-1H-pyrazole-3-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-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid (CID 3833115) is 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid is C1=CC=C2C(=C1)C(=CN2)C3=NNC(=C3)C(=O)O.
What is the InChIKey of 5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is LWCOJZLPIRKQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,14,15)(H,16,17).
What are the key properties of 5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid?
5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 3833115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).