1-(cyclopropylmethyl)-1H-indazol-3-amine

• ChemBase ID: 308035
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: n1(nc(c2c1cccc2)N)CC1CC1
• Canonical SMILES: Nc1nn(c2c1cccc2)CC1CC1
• InChI: InChI=1S/C11H13N3/c12-11-9-3-1-2-4-10(9)14(13-11)7-8-5-6-8/h1-4,8H,5-7H2,(H2,12,13)
• InChIKey: MZLQXIRNYBXNAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-1H-indazol-3-amine
• IUPAC Traditional name: 1-(cyclopropylmethyl)indazol-3-amine
• Synonyms: 1-(cyclopropylmethyl)-1H-indazol-3-amine

Database IDs

• CAS Number: 927802-22-0
• MDL Number: MFCD09054757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9653176
• LogD (pH = 7.4): 1.9660828
• Log P: 1.9660926
• Molar Refractivity: 68.245 cm^3
• Polarizability: 22.356203 Å^3
• Polar Surface Area: 43.84 Å^2