4-cyclopropyl-1H-pyrazol-3-amine

• ChemBase ID: 806222
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: [nH]1nc(c(c1)C1CC1)N
• Canonical SMILES: Nc1n[nH]cc1C1CC1
• InChI: InChI=1S/C6H9N3/c7-6-5(3-8-9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)
• InChIKey: MVVJHFJQYGHJMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 4-cyclopropyl-1H-pyrazol-3-amine
• Synonyms: 3-AMINO-4-CYCLOPROPYL-1H-PYRAZOLE

Database IDs

• CAS Number: 673475-74-6

CALCULATED PROPERTIES

• Acid pKa: 17.306004
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.81520754
• LogD (pH = 7.4): 0.8241297
• Log P: 0.8242446
• Molar Refractivity: 37.1479 cm^3
• Polarizability: 12.987753 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%