3-hydroxypropyl indazole-1-carboxylate

C11H12N2O3 — CID 141178770

IUPAC3-hydroxypropyl indazole-1-carboxylate
SMILESO=C(OCCCO)n1ncc2ccccc21
InChIInChI=1S/C11H12N2O3/c14-6-3-7-16-11(15)13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8,14H,3,6-7H2
InChIKeyFHXVGGUYEUPIMZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.40
Rot. Bonds3

About 3-hydroxypropyl indazole-1-carboxylate

3-hydroxypropyl indazole-1-carboxylate (PubChem CID 141178770) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-hydroxypropyl indazole-1-carboxylate.

Molecular Properties

Compound Name3-hydroxypropyl indazole-1-carboxylate
PubChem CID141178770
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-hydroxypropyl indazole-1-carboxylate
SMILESO=C(OCCCO)n1ncc2ccccc21
InChIInChI=1S/C11H12N2O3/c14-6-3-7-16-11(15)13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8,14H,3,6-7H2
InChIKeyFHXVGGUYEUPIMZ-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl indazole-1-carboxylate?
The IUPAC name of 3-hydroxypropyl indazole-1-carboxylate (CID 141178770) is 3-hydroxypropyl indazole-1-carboxylate.
What is the SMILES notation for 3-hydroxypropyl indazole-1-carboxylate?
The canonical SMILES for 3-hydroxypropyl indazole-1-carboxylate is O=C(OCCCO)n1ncc2ccccc21.
What is the InChIKey of 3-hydroxypropyl indazole-1-carboxylate?
The InChIKey is FHXVGGUYEUPIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-6-3-7-16-11(15)13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8,14H,3,6-7H2.
What are the key properties of 3-hydroxypropyl indazole-1-carboxylate?
3-hydroxypropyl indazole-1-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl indazole-1-carboxylate is sourced from PubChem (CID 141178770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).