1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbohydrazide dihydrochloride

• ChemBase ID: 55760
• Molecular Formular: C7H13Cl2N5O
• Molecular Mass: 254.11702
• Monoisotopic Mass: 253.04971542
• SMILES: C1CNCc2c1[nH]nc2C(=O)NN.Cl.Cl
• Canonical SMILES: NNC(=O)c1n[nH]c2c1CNCC2.Cl.Cl
• InChI: InChI=1S/C7H11N5O.2ClH/c8-10-7(13)6-4-3-9-2-1-5(4)11-12-6;;/h9H,1-3,8H2,(H,10,13)(H,11,12);2*1H
• InChIKey: PQVSNPKFHPDHAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbohydrazide dihydrochloride
• IUPAC Traditional name: 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbohydrazide dihydrochloride
• Synonyms: 4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbohydrazide dihydrochloride

Database IDs

• MDL Number: MFCD19103359
• PubChem SID: 162060523
• PubChem CID: 56773742

CALCULATED PROPERTIES

• Acid pKa: 11.732035
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -4.19608
• LogD (pH = 7.4): -2.4866898
• Log P: -1.4930183
• Molar Refractivity: 49.4814 cm^3
• Polarizability: 17.702818 Å^3
• Polar Surface Area: 95.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false