5-cyclopropyl-1H-pyrazole-3-carbohydrazide

• ChemBase ID: 45338
• Molecular Formular: C7H10N4O
• Molecular Mass: 166.1805
• Monoisotopic Mass: 166.08546096
• SMILES: c1(n[nH]c(c1)C1CC1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc([nH]n1)C1CC1
• InChI: InChI=1S/C7H10N4O/c8-9-7(12)6-3-5(10-11-6)4-1-2-4/h3-4H,1-2,8H2,(H,9,12)(H,10,11)
• InChIKey: SAPZJBNBSMCKAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1H-pyrazole-3-carbohydrazide; 3-cyclopropyl-1H-pyrazole-5-carbohydrazide
• IUPAC Traditional name: 5-cyclopropyl-1H-pyrazole-3-carbohydrazide; 5-cyclopropyl-2H-pyrazole-3-carbohydrazide
• Synonyms: 5-Cyclopropyl-1H-pyrazole-3-carbohydrazide; 3-cyclopropyl-1H-pyrazole-5-carbohydrazide

Database IDs

• CAS Number: 395653-63-1
• MDL Number: MFCD04967363
• PubChem SID: 162050101
• PubChem CID: 17024579

CALCULATED PROPERTIES

• Acid pKa: 12.014772
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.3382221
• LogD (pH = 7.4): -0.3400598
• Log P: -0.33723807
• Molar Refractivity: 45.1761 cm^3
• Polarizability: 16.17402 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false