1-(1-ethyl-1H-pyrazol-5-yl)propan-2-amine

• ChemBase ID: 72159
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(nccc1CC(N)C)CC
• Canonical SMILES: CCn1nccc1CC(N)C
• InChI: InChI=1S/C8H15N3/c1-3-11-8(4-5-10-11)6-7(2)9/h4-5,7H,3,6,9H2,1-2H3
• InChIKey: YFECFVSHIOZYME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-ethyl-1H-pyrazol-5-yl)propan-2-amine
• IUPAC Traditional name: 1-(2-ethylpyrazol-3-yl)propan-2-amine
• Synonyms: [2-(1-Ethyl-1H-pyrazol-5-yl)-1-methylethyl]amine

Database IDs

• PubChem SID: 162104041
• PubChem CID: 71299962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7386904
• LogD (pH = 7.4): -2.1876528
• Log P: 0.28021815
• Molar Refractivity: 57.3451 cm^3
• Polarizability: 17.708965 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT