ethyl 1-(2-azidopropyl)indazole-6-carboxylate

C13H15N5O2 — CID 86760620

IUPACethyl 1-(2-azidopropyl)indazole-6-carboxylate
SMILESCCOC(=O)c1ccc2cnn(CC(C)N=[N+]=[N-])c2c1
InChIInChI=1S/C13H15N5O2/c1-3-20-13(19)10-4-5-11-7-15-18(12(11)6-10)8-9(2)16-17-14/h4-7,9H,3,8H2,1-2H3
InChIKeyYPALGIRGWQULLP-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.91
Rot. Bonds5

About ethyl 1-(2-azidopropyl)indazole-6-carboxylate

ethyl 1-(2-azidopropyl)indazole-6-carboxylate (PubChem CID 86760620) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is ethyl 1-(2-azidopropyl)indazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-azidopropyl)indazole-6-carboxylate
PubChem CID86760620
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Nameethyl 1-(2-azidopropyl)indazole-6-carboxylate
SMILESCCOC(=O)c1ccc2cnn(CC(C)N=[N+]=[N-])c2c1
InChIInChI=1S/C13H15N5O2/c1-3-20-13(19)10-4-5-11-7-15-18(12(11)6-10)8-9(2)16-17-14/h4-7,9H,3,8H2,1-2H3
InChIKeyYPALGIRGWQULLP-UHFFFAOYSA-N
XLogP2.91
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-azidopropyl)indazole-6-carboxylate?
The IUPAC name of ethyl 1-(2-azidopropyl)indazole-6-carboxylate (CID 86760620) is ethyl 1-(2-azidopropyl)indazole-6-carboxylate.
What is the SMILES notation for ethyl 1-(2-azidopropyl)indazole-6-carboxylate?
The canonical SMILES for ethyl 1-(2-azidopropyl)indazole-6-carboxylate is CCOC(=O)c1ccc2cnn(CC(C)N=[N+]=[N-])c2c1.
What is the InChIKey of ethyl 1-(2-azidopropyl)indazole-6-carboxylate?
The InChIKey is YPALGIRGWQULLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-20-13(19)10-4-5-11-7-15-18(12(11)6-10)8-9(2)16-17-14/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 1-(2-azidopropyl)indazole-6-carboxylate?
ethyl 1-(2-azidopropyl)indazole-6-carboxylate has a molecular weight of 273.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-azidopropyl)indazole-6-carboxylate is sourced from PubChem (CID 86760620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).