trimethyl-1H-pyrazol-5-amine

• ChemBase ID: 271551
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: c1(c(c(nn1C)C)C)N
• Canonical SMILES: Cc1nn(c(c1C)N)C
• InChI: InChI=1S/C6H11N3/c1-4-5(2)8-9(3)6(4)7/h7H2,1-3H3
• InChIKey: RXNRZXTWCRTHPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl-1H-pyrazol-5-amine
• IUPAC Traditional name: trimethylpyrazol-3-amine
• Synonyms: 1,3,4-trimethyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD06255248
• PubChem SID: 164327461
• PubChem CID: 4737030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.27754557
• LogD (pH = 7.4): 0.3058889
• Log P: 0.3062625
• Molar Refractivity: 48.5478 cm^3
• Polarizability: 13.558584 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 0.299

Product Information

• Purity: 95%