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

• ChemBase ID: 308074
• Molecular Formular: C10H12ClN3
• Molecular Mass: 209.67538
• Monoisotopic Mass: 209.07197508
• SMILES: c1(nn(c2c1c(Cl)ccc2)CCC)N
• Canonical SMILES: CCCn1nc(c2c1cccc2Cl)N
• InChI: InChI=1S/C10H12ClN3/c1-2-6-14-8-5-3-4-7(11)9(8)10(12)13-14/h3-5H,2,6H2,1H3,(H2,12,13)
• InChIKey: KYBNMNFGKBFZHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-propyl-1H-indazol-3-amine
• IUPAC Traditional name: 4-chloro-1-propylindazol-3-amine
• Synonyms: 4-chloro-1-propyl-1H-indazol-3-amine

Database IDs

• CAS Number: 959240-46-1
• MDL Number: MFCD09864533

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6683178
• LogD (pH = 7.4): 2.668883
• Log P: 2.6688902
• Molar Refractivity: 70.3804 cm^3
• Polarizability: 23.092 Å^3
• Polar Surface Area: 43.84 Å^2