1,5-dimethyl-1H-pyrazol-3-amine

• ChemBase ID: 17843
• Molecular Formular: C5H9N3
• Molecular Mass: 111.14506
• Monoisotopic Mass: 111.0796473
• SMILES: c1(n(nc(c1)N)C)C
• Canonical SMILES: Nc1nn(c(c1)C)C
• InChI: InChI=1S/C5H9N3/c1-4-3-5(6)7-8(4)2/h3H,1-2H3,(H2,6,7)
• InChIKey: YGRLFMMSIGPOOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 1,5-dimethylpyrazol-3-amine
• Synonyms: 1,5-Dimethyl-1H-pyrazol-3-ylamine; 1,5-dimethyl-1H-pyrazol-3-amine

Database IDs

• CAS Number: 35100-92-6
• MDL Number: MFCD04970041
• PubChem SID: 160981150
• PubChem CID: 7017747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3460985
• LogD (pH = 7.4): 0.36593986
• Log P: 0.36619878
• Molar Refractivity: 45.125 cm^3
• Polarizability: 11.793109 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): -0.259

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%