3-indazol-1-ylpropanoate

C10H9N2O2- — CID 5147223

IUPAC3-indazol-1-ylpropanoate
SMILESO=C([O-])CCn1ncc2ccccc21
InChIInChI=1S/C10H10N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h1-4,7H,5-6H2,(H,13,14)/p-1
InChIKeyKWLUWAKLSFDQNN-UHFFFAOYSA-M
MW189.19 g/mol
LogP0.18
Rot. Bonds3

About 3-indazol-1-ylpropanoate

3-indazol-1-ylpropanoate (PubChem CID 5147223) has the molecular formula C10H9N2O2- and a molecular weight of 189.19 g/mol. Its IUPAC name is 3-indazol-1-ylpropanoate.

Molecular Properties

Compound Name3-indazol-1-ylpropanoate
PubChem CID5147223
Molecular FormulaC10H9N2O2-
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name3-indazol-1-ylpropanoate
SMILESO=C([O-])CCn1ncc2ccccc21
InChIInChI=1S/C10H10N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h1-4,7H,5-6H2,(H,13,14)/p-1
InChIKeyKWLUWAKLSFDQNN-UHFFFAOYSA-M
XLogP0.18
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-ylpropanoate?
The IUPAC name of 3-indazol-1-ylpropanoate (CID 5147223) is 3-indazol-1-ylpropanoate.
What is the SMILES notation for 3-indazol-1-ylpropanoate?
The canonical SMILES for 3-indazol-1-ylpropanoate is O=C([O-])CCn1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-ylpropanoate?
The InChIKey is KWLUWAKLSFDQNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h1-4,7H,5-6H2,(H,13,14)/p-1.
What are the key properties of 3-indazol-1-ylpropanoate?
3-indazol-1-ylpropanoate has a molecular weight of 189.19 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-ylpropanoate is sourced from PubChem (CID 5147223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).