1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbohydrazide

• ChemBase ID: 51090
• Molecular Formular: C7H10N4O
• Molecular Mass: 166.1805
• Monoisotopic Mass: 166.08546096
• SMILES: c1(n[nH]c2c1CCC2)C(=O)NN
• Canonical SMILES: NNC(=O)c1n[nH]c2c1CCC2
• InChI: InChI=1S/C7H10N4O/c8-9-7(12)6-4-2-1-3-5(4)10-11-6/h1-3,8H2,(H,9,12)(H,10,11)
• InChIKey: SVCCSHLJCQVHGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbohydrazide
• IUPAC Traditional name: 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbohydrazide
• Synonyms: 1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide

Database IDs

• CAS Number: 299166-55-5
• MDL Number: MFCD00611174
• PubChem SID: 162055853
• PubChem CID: 776841

CALCULATED PROPERTIES

• Acid pKa: 13.223199
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.011338067
• LogD (pH = 7.4): -0.0107837645
• Log P: -0.010776061
• Molar Refractivity: 45.8486 cm^3
• Polarizability: 16.104437 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%