1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid

C13H11N3O2 — CID 152744497

IUPAC1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid
SMILESCn1nccc1-n1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C13H11N3O2/c1-15-12(6-7-14-15)16-8-10(13(17)18)9-4-2-3-5-11(9)16/h2-8H,1H3,(H,17,18)
InChIKeyHFRRRZDCDJNSCN-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.06
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid

1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid (PubChem CID 152744497) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid
PubChem CID152744497
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid
SMILESCn1nccc1-n1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C13H11N3O2/c1-15-12(6-7-14-15)16-8-10(13(17)18)9-4-2-3-5-11(9)16/h2-8H,1H3,(H,17,18)
InChIKeyHFRRRZDCDJNSCN-UHFFFAOYSA-N
XLogP2.06
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrimidin-2-ylindole-3-carboxylic acid
CID 68741533
1-pyrazin-2-ylindole-3-carboxylic acid
CID 90031352
1-pyridin-3-ylindole-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 160804799
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 86708891
5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 82299507
5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid
CID 82482197
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82488144
1-(2-ethylsulfonylethyl)indole-3-carboxylic acid
CID 43807959
1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
1-propan-2-ylsulfonylindole-3-carboxylic acid
CID 90031230

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid?
The IUPAC name of 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid (CID 152744497) is 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid is Cn1nccc1-n1cc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid?
The InChIKey is HFRRRZDCDJNSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-15-12(6-7-14-15)16-8-10(13(17)18)9-4-2-3-5-11(9)16/h2-8H,1H3,(H,17,18).
What are the key properties of 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid?
1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid is sourced from PubChem (CID 152744497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).