5-cyclopropyl-1-ethyl-1H-pyrazol-4-amine

• ChemBase ID: 245216
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(n(ncc1N)CC)C1CC1
• Canonical SMILES: CCn1ncc(c1C1CC1)N
• InChI: InChI=1S/C8H13N3/c1-2-11-8(6-3-4-6)7(9)5-10-11/h5-6H,2-4,9H2,1H3
• InChIKey: IBGAZHHZJKKGRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1-ethyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 5-cyclopropyl-1-ethylpyrazol-4-amine
• Synonyms: 5-cyclopropyl-1-ethyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD21773917
• PubChem SID: 164301126
• PubChem CID: 66442638

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5522499
• LogD (pH = 7.4): 0.5523177
• Log P: 0.5523185
• Molar Refractivity: 56.7535 cm^3
• Polarizability: 16.59033 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.414

Product Information

• Purity: 95%