1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid

C13H15N3O2 — CID 82622616

IUPAC1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid
SMILESNc1ccc2n[nH]c(C3(C(=O)O)CCCC3)c2c1
InChIInChI=1S/C13H15N3O2/c14-8-3-4-10-9(7-8)11(16-15-10)13(12(17)18)5-1-2-6-13/h3-4,7H,1-2,5-6,14H2,(H,15,16)(H,17,18)
InChIKeyXFWDVCYPNDMZJB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.04
Rot. Bonds2

About 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid

1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 82622616) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID82622616
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid
SMILESNc1ccc2n[nH]c(C3(C(=O)O)CCCC3)c2c1
InChIInChI=1S/C13H15N3O2/c14-8-3-4-10-9(7-8)11(16-15-10)13(12(17)18)5-1-2-6-13/h3-4,7H,1-2,5-6,14H2,(H,15,16)(H,17,18)
InChIKeyXFWDVCYPNDMZJB-UHFFFAOYSA-N
XLogP2.04
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid (CID 82622616) is 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid is Nc1ccc2n[nH]c(C3(C(=O)O)CCCC3)c2c1.
What is the InChIKey of 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is XFWDVCYPNDMZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-3-4-10-9(7-8)11(16-15-10)13(12(17)18)5-1-2-6-13/h3-4,7H,1-2,5-6,14H2,(H,15,16)(H,17,18).
What are the key properties of 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid?
1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82622616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).