2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide

• ChemBase ID: 58529
• Molecular Formular: C10H18N4O
• Molecular Mass: 210.27612
• Monoisotopic Mass: 210.14806122
• SMILES: n1(c(c(c(n1)C)CC)C)C(C)C(=O)NN
• Canonical SMILES: NNC(=O)C(n1nc(c(c1C)CC)C)C
• InChI: InChI=1S/C10H18N4O/c1-5-9-6(2)13-14(7(9)3)8(4)10(15)12-11/h8H,5,11H2,1-4H3,(H,12,15)
• InChIKey: DJJDUEUYMKEJIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide
• IUPAC Traditional name: 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanehydrazide
• Synonyms: 2-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-propanohydrazide

Database IDs

• MDL Number: MFCD15146494
• PubChem SID: 162063292
• PubChem CID: 46318348

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.62811244
• LogD (pH = 7.4): 0.6332876
• Log P: 0.6333567
• Molar Refractivity: 71.2296 cm^3
• Polarizability: 22.435158 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 12.561166
• H Acceptors: 3
• H Donor: 2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false