propyl indazole-1-carboxylate

C11H12N2O2 — CID 71095858

IUPACpropyl indazole-1-carboxylate
SMILESCCCOC(=O)n1ncc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-2-7-15-11(14)13-10-6-4-3-5-9(10)8-12-13/h3-6,8H,2,7H2,1H3
InChIKeyNNQAQKNTZZYSEU-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.43
Rot. Bonds2

About propyl indazole-1-carboxylate

propyl indazole-1-carboxylate (PubChem CID 71095858) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is propyl indazole-1-carboxylate.

Molecular Properties

Compound Namepropyl indazole-1-carboxylate
PubChem CID71095858
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namepropyl indazole-1-carboxylate
SMILESCCCOC(=O)n1ncc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-2-7-15-11(14)13-10-6-4-3-5-9(10)8-12-13/h3-6,8H,2,7H2,1H3
InChIKeyNNQAQKNTZZYSEU-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl indazole-1-carboxylate?
The IUPAC name of propyl indazole-1-carboxylate (CID 71095858) is propyl indazole-1-carboxylate.
What is the SMILES notation for propyl indazole-1-carboxylate?
The canonical SMILES for propyl indazole-1-carboxylate is CCCOC(=O)n1ncc2ccccc21.
What is the InChIKey of propyl indazole-1-carboxylate?
The InChIKey is NNQAQKNTZZYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-7-15-11(14)13-10-6-4-3-5-9(10)8-12-13/h3-6,8H,2,7H2,1H3.
What are the key properties of propyl indazole-1-carboxylate?
propyl indazole-1-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl indazole-1-carboxylate is sourced from PubChem (CID 71095858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).