1-(2-azidoethyl)-1H-pyrazole

• ChemBase ID: 248252
• Molecular Formular: C5H7N5
• Molecular Mass: 137.14258
• Monoisotopic Mass: 137.07014525
• SMILES: [N+](=[N-])=NCCn1nccc1
• Canonical SMILES: [N-]=[N+]=NCCn1cccn1
• InChI: InChI=1S/C5H7N5/c6-9-7-3-5-10-4-1-2-8-10/h1-2,4H,3,5H2
• InChIKey: IYZZZXHWTZPJAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-azidoethyl)-1H-pyrazole
• IUPAC Traditional name: 1-(2-azidoethyl)pyrazole
• Synonyms: 1-(2-azidoethyl)-1H-pyrazole

Database IDs

• MDL Number: MFCD14658363
• PubChem SID: 164304162
• PubChem CID: 61396430

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.417169
• LogD (pH = 7.4): 0.41730097
• Log P: 0.5313483
• Molar Refractivity: 47.5462 cm^3
• Polarizability: 13.051711 Å^3
• Polar Surface Area: 47.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.459

Product Information

• Purity: 95%