4-(hydrazinylmethyl)-1-phenyl-1H-pyrazole

• ChemBase ID: 280096
• Molecular Formular: C10H12N4
• Molecular Mass: 188.22908
• Monoisotopic Mass: 188.1061964
• SMILES: n1(ncc(c1)CNN)c1ccccc1
• Canonical SMILES: NNCc1cnn(c1)c1ccccc1
• InChI: InChI=1S/C10H12N4/c11-12-6-9-7-13-14(8-9)10-4-2-1-3-5-10/h1-5,7-8,12H,6,11H2
• InChIKey: CDPJSSZUGYMYTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydrazinylmethyl)-1-phenyl-1H-pyrazole
• IUPAC Traditional name: 4-(hydrazinylmethyl)-1-phenylpyrazole
• Synonyms: 4-(hydrazinomethyl)-1-phenyl-1H-pyrazole

Database IDs

• CAS Number: 926268-64-6
• MDL Number: MFCD09040675
• PubChem SID: 180665627
• PubChem CID: 16228736

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8634512
• LogD (pH = 7.4): 0.9981586
• Log P: 1.0001774
• Molar Refractivity: 67.87 cm^3
• Polarizability: 22.11782 Å^3
• Polar Surface Area: 55.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.758

Product Information

• Purity: 95%