4-chloro-1-ethyl-1H-indazol-3-amine

• ChemBase ID: 308055
• Molecular Formular: C9H10ClN3
• Molecular Mass: 195.6488
• Monoisotopic Mass: 195.05632502
• SMILES: c1(nn(c2c1c(Cl)ccc2)CC)N
• Canonical SMILES: CCn1nc(c2c1cccc2Cl)N
• InChI: InChI=1S/C9H10ClN3/c1-2-13-7-5-3-4-6(10)8(7)9(11)12-13/h3-5H,2H2,1H3,(H2,11,12)
• InChIKey: QVSAXMOYEMOPII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-ethyl-1H-indazol-3-amine
• IUPAC Traditional name: 4-chloro-1-ethylindazol-3-amine
• Synonyms: 4-chloro-1-ethyl-1H-indazol-3-amine

Database IDs

• CAS Number: 1015846-49-7
• MDL Number: MFCD09971249

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1457915
• LogD (pH = 7.4): 2.1463606
• Log P: 2.146368
• Molar Refractivity: 65.8564 cm^3
• Polarizability: 21.24926 Å^3
• Polar Surface Area: 43.84 Å^2