1-propyl-1H-pyrazol-5-amine

• ChemBase ID: 13532
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1(nccc1N)CCC
• Canonical SMILES: CCCn1nccc1N
• InChI: InChI=1S/C6H11N3/c1-2-5-9-6(7)3-4-8-9/h3-4H,2,5,7H2,1H3
• InChIKey: OPRZPQAAUXRYDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-propylpyrazol-3-amine
• Synonyms: 1-propyl-1H-pyrazol-5-amine; 2-Propyl-2H-pyrazol-3-ylamine

Database IDs

• CAS Number: 3524-15-0
• MDL Number: MFCD03856630
• PubChem SID: 160976839
• PubChem CID: 1084923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.53704333
• LogD (pH = 7.4): 0.5407538
• Log P: 0.5408013
• Molar Refractivity: 48.1877 cm^3
• Polarizability: 13.713915 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.869

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%