2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid

C12H13N3O2 — CID 166721441

IUPAC2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H13N3O2/c16-12(17)15-5-1-2-11(15)8-3-4-9-7-13-14-10(9)6-8/h3-4,6-7,11H,1-2,5H2,(H,13,14)(H,16,17)
InChIKeyBAWMBBQKTMTVMN-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.38
Rot. Bonds1

About 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid

2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid (PubChem CID 166721441) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
PubChem CID166721441
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H13N3O2/c16-12(17)15-5-1-2-11(15)8-3-4-9-7-13-14-10(9)6-8/h3-4,6-7,11H,1-2,5H2,(H,13,14)(H,16,17)
InChIKeyBAWMBBQKTMTVMN-UHFFFAOYSA-N
XLogP2.38
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
CID 62906843
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
CID 72906089
[2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879473
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423654
(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid
CID 135283972
2-(4-cyano-3-fluorophenyl)pyrrolidine-1-carboxylic acid
CID 126482568
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole
CID 127720385
[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166185729
1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone
CID 141121788
2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
CID 174600282
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid (CID 166721441) is 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is BAWMBBQKTMTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-12(17)15-5-1-2-11(15)8-3-4-9-7-13-14-10(9)6-8/h3-4,6-7,11H,1-2,5H2,(H,13,14)(H,16,17).
What are the key properties of 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid?
2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166721441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).