1-pyrrolidin-1-ylindazole-3-carboxylic acid

C12H13N3O2 — CID 71259520

IUPAC1-pyrrolidin-1-ylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(N2CCCC2)c2ccccc12
InChIInChI=1S/C12H13N3O2/c16-12(17)11-9-5-1-2-6-10(9)15(13-11)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,16,17)
InChIKeyFZWIIWHQLFGFLW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.47
Rot. Bonds2

About 1-pyrrolidin-1-ylindazole-3-carboxylic acid

1-pyrrolidin-1-ylindazole-3-carboxylic acid (PubChem CID 71259520) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-pyrrolidin-1-ylindazole-3-carboxylic acid
PubChem CID71259520
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-pyrrolidin-1-ylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(N2CCCC2)c2ccccc12
InChIInChI=1S/C12H13N3O2/c16-12(17)11-9-5-1-2-6-10(9)15(13-11)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,16,17)
InChIKeyFZWIIWHQLFGFLW-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyrrolidin-1-ylindazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-prop-1-ynylindazole-3-carboxylic acid
CID 21478807
1-[2-(1-methylpiperidin-2-yl)ethyl]indazole-3-carboxylic acid
CID 107912892
(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 123818854
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
(E)-but-2-enedioic acid;1-propan-2-ylindazole-3-carboxylic acid
CID 162310578
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
CID 64566513
1-but-3-enylindazole-3-carboxylic acid
CID 18695576
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
1-[3-(piperidine-1-carbonyl)indazol-1-yl]ethanone
CID 15268068

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylindazole-3-carboxylic acid?
The IUPAC name of 1-pyrrolidin-1-ylindazole-3-carboxylic acid (CID 71259520) is 1-pyrrolidin-1-ylindazole-3-carboxylic acid.
What is the SMILES notation for 1-pyrrolidin-1-ylindazole-3-carboxylic acid?
The canonical SMILES for 1-pyrrolidin-1-ylindazole-3-carboxylic acid is O=C(O)c1nn(N2CCCC2)c2ccccc12.
What is the InChIKey of 1-pyrrolidin-1-ylindazole-3-carboxylic acid?
The InChIKey is FZWIIWHQLFGFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-12(17)11-9-5-1-2-6-10(9)15(13-11)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,16,17).
What are the key properties of 1-pyrrolidin-1-ylindazole-3-carboxylic acid?
1-pyrrolidin-1-ylindazole-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylindazole-3-carboxylic acid is sourced from PubChem (CID 71259520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).