3,4-diethyl-1-methyl-1H-pyrazol-5-amine

• ChemBase ID: 307413
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: c1(c(c(nn1C)CC)CC)N
• Canonical SMILES: CCc1nn(c(c1CC)N)C
• InChI: InChI=1S/C8H15N3/c1-4-6-7(5-2)10-11(3)8(6)9/h4-5,9H2,1-3H3
• InChIKey: JGMHCAPAKGWERZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-diethyl-1-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 4,5-diethyl-2-methylpyrazol-3-amine
• Synonyms: 3,4-diethyl-1-methyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 936940-25-9
• MDL Number: MFCD08059966

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4299873
• LogD (pH = 7.4): 1.4510912
• Log P: 1.451367
• Molar Refractivity: 57.7757 cm^3
• Polarizability: 17.236792 Å^3
• Polar Surface Area: 43.84 Å^2