2-(4-amino-1H-pyrazol-1-yl)acetohydrazide hydrochloride

• ChemBase ID: 37942
• Molecular Formular: C5H10ClN5O
• Molecular Mass: 191.6188
• Monoisotopic Mass: 191.05738765
• SMILES: n1(ncc(c1)N)CC(=O)NN.Cl
• Canonical SMILES: NNC(=O)Cn1ncc(c1)N.Cl
• InChI: InChI=1S/C5H9N5O.ClH/c6-4-1-8-10(2-4)3-5(11)9-7;/h1-2H,3,6-7H2,(H,9,11);1H
• InChIKey: OILOWNBXINQTLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-amino-1H-pyrazol-1-yl)acetohydrazide hydrochloride
• IUPAC Traditional name: 2-(4-aminopyrazol-1-yl)acetohydrazide hydrochloride
• Synonyms: 2-(4-Amino-1H-pyrazol-1-yl)acetohydrazide hydrochloride

Database IDs

• MDL Number: MFCD17676097
• PubChem SID: 161001249
• PubChem CID: 56829426

CALCULATED PROPERTIES

• Acid pKa: 12.101855
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.0565698
• LogD (pH = 7.4): -2.0533054
• Log P: -2.053255
• Molar Refractivity: 52.0527 cm^3
• Polarizability: 14.670096 Å^3
• Polar Surface Area: 98.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false