4-methyl-1H-indazol-5-amine

• ChemBase ID: 294878
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: Nc1c(C)c2c([nH]nc2)cc1
• Canonical SMILES: Nc1ccc2c(c1C)cn[nH]2
• InChI: InChI=1S/C8H9N3/c1-5-6-4-10-11-8(6)3-2-7(5)9/h2-4H,9H2,1H3,(H,10,11)
• InChIKey: MCJKSYZMURIBSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1H-indazol-5-amine
• IUPAC Traditional name: 4-methyl-1H-indazol-5-amine
• Synonyms: 4-Methyl-1H-indazol-5-amine

Database IDs

• CAS Number: 101257-89-0
• MDL Number: MFCD09263208
• PubChem SID: 180680409
• PubChem CID: 19354421

CALCULATED PROPERTIES

• Acid pKa: 14.643939
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.97870374
• LogD (pH = 7.4): 0.9807766
• Log P: 0.98080313
• Molar Refractivity: 45.8147 cm^3
• Polarizability: 17.56361 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%