7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid

C13H11N3O2 — CID 147708237

IUPAC7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid
SMILESCc1cccc2c(-c3cn[nH]c3)c(C(=O)O)[nH]c12
InChIInChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKeyGUEVKZFKUSZADK-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.56
Rot. Bonds2

About 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid

7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid (PubChem CID 147708237) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid
PubChem CID147708237
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid
SMILESCc1cccc2c(-c3cn[nH]c3)c(C(=O)O)[nH]c12
InChIInChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKeyGUEVKZFKUSZADK-UHFFFAOYSA-N
XLogP2.56
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid (CID 147708237) is 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid is Cc1cccc2c(-c3cn[nH]c3)c(C(=O)O)[nH]c12.
What is the InChIKey of 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid?
The InChIKey is GUEVKZFKUSZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18).
What are the key properties of 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid?
7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1H-pyrazol-4-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 147708237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).