5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid

C13H11N3O2 — CID 136986210

IUPAC5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1ccc2c(-c3[nH]ncc3C(=O)O)c[nH]c2c1
InChIInChI=1S/C13H11N3O2/c1-7-2-3-8-9(5-14-11(8)4-7)12-10(13(17)18)6-15-16-12/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyGXXGXNXRGYVBKU-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.56
Rot. Bonds2

About 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid

5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 136986210) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID136986210
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1ccc2c(-c3[nH]ncc3C(=O)O)c[nH]c2c1
InChIInChI=1S/C13H11N3O2/c1-7-2-3-8-9(5-14-11(8)4-7)12-10(13(17)18)6-15-16-12/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyGXXGXNXRGYVBKU-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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Related Compounds

5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986326
5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986206
3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
CID 136985961
1-methyl-5-(6-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136985862
5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986188
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylate
CID 6957868
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152
5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 83810699
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 135732771
[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone
CID 135920556
5-methylbenzene-1,3-dicarboxylic acid;5-phenyl-1H-pyrazole-4-carboxylic acid
CID 160620649

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 136986210) is 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid is Cc1ccc2c(-c3[nH]ncc3C(=O)O)c[nH]c2c1.
What is the InChIKey of 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is GXXGXNXRGYVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7-2-3-8-9(5-14-11(8)4-7)12-10(13(17)18)6-15-16-12/h2-6,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-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 5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 136986210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).