5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid

C12H13N3O2 — CID 117334024

IUPAC5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2cccc3cn[nH]c23)C1
InChIInChI=1S/C12H13N3O2/c16-12(17)8-4-10(13-5-8)9-3-1-2-7-6-14-15-11(7)9/h1-3,6,8,10,13H,4-5H2,(H,14,15)(H,16,17)
InChIKeyBDNGGIXVIHHSLB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.30
Rot. Bonds2

About 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid

5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117334024) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid
PubChem CID117334024
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2cccc3cn[nH]c23)C1
InChIInChI=1S/C12H13N3O2/c16-12(17)8-4-10(13-5-8)9-3-1-2-7-6-14-15-11(7)9/h1-3,6,8,10,13H,4-5H2,(H,14,15)(H,16,17)
InChIKeyBDNGGIXVIHHSLB-UHFFFAOYSA-N
XLogP1.30
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid (CID 117334024) is 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2cccc3cn[nH]c23)C1.
What is the InChIKey of 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is BDNGGIXVIHHSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-12(17)8-4-10(13-5-8)9-3-1-2-7-6-14-15-11(7)9/h1-3,6,8,10,13H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid?
5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117334024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).