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

• ChemBase ID: 278902
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(cc(n[nH]1)NC)C1CC1
• Canonical SMILES: CNc1n[nH]c(c1)C1CC1
• InChI: InChI=1S/C7H11N3/c1-8-7-4-6(9-10-7)5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9,10)
• InChIKey: BKODEURDQHTZGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-methyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 5-cyclopropyl-N-methyl-1H-pyrazol-3-amine
• Synonyms: 5-cyclopropyl-N-methyl-1H-pyrazol-3-amine

Database IDs

• MDL Number: MFCD17282958
• PubChem SID: 164334812
• PubChem CID: 54595033

CALCULATED PROPERTIES

• Acid pKa: 16.02934
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9510839
• LogD (pH = 7.4): 0.96777904
• Log P: 0.9679961
• Molar Refractivity: 42.5958 cm^3
• Polarizability: 14.823168 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.371

Product Information

• Purity: 95%