3-cyclopropyl-1-methyl-1H-pyrazol-5-amine

• ChemBase ID: 87014
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(C2CC2)cc(n1C)N
• Canonical SMILES: Nc1cc(nn1C)C1CC1
• InChI: InChI=1S/C7H11N3/c1-10-7(8)4-6(9-10)5-2-3-5/h4-5H,2-3,8H2,1H3
• InChIKey: YWHWPIRLFHZSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-1-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-cyclopropyl-2-methylpyrazol-3-amine
• Synonyms: 3-Cyclopropyl-1-methyl-1H-pyrazol-5-amine; 5-Amino-3-cyclopropyl-1-methyl-1H-pyrazole; 3-cyclopropyl-1-methyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 118430-74-3
• MDL Number: MFCD00067984
• PubChem SID: 162074130
• PubChem CID: 2735311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5560029
• LogD (pH = 7.4): 0.5724239
• Log P: 0.5726373
• Molar Refractivity: 50.9058 cm^3
• Polarizability: 14.74891 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 97%