2-(propan-2-yl)-2H-indazol-5-amine

• ChemBase ID: 274311
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1n(cc2c1ccc(c2)N)C(C)C
• Canonical SMILES: Nc1ccc2c(c1)cn(n2)C(C)C
• InChI: InChI=1S/C10H13N3/c1-7(2)13-6-8-5-9(11)3-4-10(8)12-13/h3-7H,11H2,1-2H3
• InChIKey: ALWLMJRVJCGMMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-2H-indazol-5-amine
• IUPAC Traditional name: 2-isopropylindazol-5-amine
• Synonyms: 2-(propan-2-yl)-2H-indazol-5-amine

Database IDs

• MDL Number: MFCD18375232
• PubChem SID: 164330221
• PubChem CID: 54593118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7170029
• LogD (pH = 7.4): 1.7208408
• Log P: 1.7208899
• Molar Refractivity: 64.9074 cm^3
• Polarizability: 21.263224 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): 1.583

Product Information

• Purity: 95%