3-(2-methylcyclopropyl)-1H-pyrazol-5-amine

• ChemBase ID: 265671
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: C1(c2cc([nH]n2)N)CC1C
• Canonical SMILES: CC1CC1c1cc([nH]n1)N
• InChI: InChI=1S/C7H11N3/c1-4-2-5(4)6-3-7(8)10-9-6/h3-5H,2H2,1H3,(H3,8,9,10)
• InChIKey: PNHOYOOOPIXCBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylcyclopropyl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-(2-methylcyclopropyl)-2H-pyrazol-3-amine
• Synonyms: 3-(2-methylcyclopropyl)-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD10694547
• PubChem SID: 164321581
• PubChem CID: 43115675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7145367
• LogD (pH = 7.4): 0.73570365
• Log P: 0.73598033
• Molar Refractivity: 40.2384 cm^3
• Polarizability: 14.828345 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.597543

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.096

Product Information

• Purity: 95%