2-(3-amino-1H-pyrazol-1-yl)acetohydrazide

• ChemBase ID: 71788
• Molecular Formular: C5H9N5O
• Molecular Mass: 155.15786
• Monoisotopic Mass: 155.08070993
• SMILES: n1(ccc(n1)N)CC(=O)NN
• Canonical SMILES: NNC(=O)Cn1ccc(n1)N
• InChI: InChI=1S/C5H9N5O/c6-4-1-2-10(9-4)3-5(11)8-7/h1-2H,3,7H2,(H2,6,9)(H,8,11)
• InChIKey: UIMAKHANQIESBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-amino-1H-pyrazol-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(3-aminopyrazol-1-yl)acetohydrazide
• Synonyms: 2-(3-Amino-1H-pyrazol-1-yl)acetohydrazide

Database IDs

• PubChem SID: 162104015
• PubChem CID: 53371452

CALCULATED PROPERTIES

• Acid pKa: 11.964874
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4673218
• LogD (pH = 7.4): -1.4589168
• Log P: -1.4587976
• Molar Refractivity: 52.3662 cm^3
• Polarizability: 14.662595 Å^3
• Polar Surface Area: 98.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT