1-propyl-1H-indazol-3-amine

• ChemBase ID: 308138
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1c(c2c(n1CCC)cccc2)N
• Canonical SMILES: CCCn1nc(c2c1cccc2)N
• InChI: InChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12-13/h3-6H,2,7H2,1H3,(H2,11,12)
• InChIKey: VSDCEYSYGFYJES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propyl-1H-indazol-3-amine
• IUPAC Traditional name: 1-propylindazol-3-amine
• Synonyms: 1-propyl-1H-indazol-3-amine

Database IDs

• CAS Number: 108552-99-4
• MDL Number: MFCD09864557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.064065
• LogD (pH = 7.4): 2.0648358
• Log P: 2.0648456
• Molar Refractivity: 65.5756 cm^3
• Polarizability: 21.250904 Å^3
• Polar Surface Area: 43.84 Å^2