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

• ChemBase ID: 235386
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(n(nc(c1)N)CC)C1CC1
• Canonical SMILES: CCn1nc(cc1C1CC1)N
• InChI: InChI=1S/C8H13N3/c1-2-11-7(6-3-4-6)5-8(9)10-11/h5-6H,2-4H2,1H3,(H2,9,10)
• InChIKey: APYVQYYSQIBHCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1-ethyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 5-cyclopropyl-1-ethylpyrazol-3-amine
• Synonyms: 5-cyclopropyl-1-ethyl-1H-pyrazol-3-amine

Database IDs

• MDL Number: MFCD09834278
• PubChem SID: 164291296
• PubChem CID: 25248196

CALCULATED PROPERTIES

• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.132797
• LogD (pH = 7.4): 1.1465973
• Log P: 1.1467761
• Molar Refractivity: 57.067 cm^3
• Polarizability: 16.58251 Å^3

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): 0.714

Product Information

• Purity: 95%