4-[(dimethylhydrazin-1-ylidene)methyl]-1-methyl-1H-pyrazole

• ChemBase ID: 274170
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: n1n(cc(c1)/C=N/N(C)C)C
• Canonical SMILES: CN(/N=C/c1cnn(c1)C)C
• InChI: InChI=1S/C7H12N4/c1-10(2)8-4-7-5-9-11(3)6-7/h4-6H,1-3H3
• InChIKey: ZFFBXHNLRPNABA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dimethylhydrazin-1-ylidene)methyl]-1-methyl-1H-pyrazole
• IUPAC Traditional name: 4-[(dimethylhydrazin-1-ylidene)methyl]-1-methylpyrazole
• Synonyms: 4-[(2,2-dimethylhydrazin-1-ylidene)methyl]-1-methyl-1H-pyrazole

Database IDs

• MDL Number: MFCD18838741
• PubChem SID: 164330080
• PubChem CID: 54593053

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.014203437
• LogD (pH = 7.4): -0.004560155
• Log P: -0.004435811
• Molar Refractivity: 56.6959 cm^3
• Polarizability: 16.566795 Å^3
• Polar Surface Area: 33.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70 - 72°C
• Hydrophobicity(logP): -0.168

Product Information

• Purity: 95%