1-ethyl-1H-pyrazol-4-amine hydrochloride

• ChemBase ID: 31355
• Molecular Formular: C5H10ClN3
• Molecular Mass: 147.606
• Monoisotopic Mass: 147.05632502
• SMILES: n1n(cc(c1)N)CC.Cl
• Canonical SMILES: CCn1cc(cn1)N.Cl
• InChI: InChI=1S/C5H9N3.ClH/c1-2-8-4-5(6)3-7-8;/h3-4H,2,6H2,1H3;1H
• InChIKey: QOVXVNPYUBGBDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-pyrazol-4-amine hydrochloride
• IUPAC Traditional name: 1-ethylpyrazol-4-amine hydrochloride
• Synonyms: 1-ethyl-1H-pyrazol-4-amine hydrochloride; 1-Ethyl-1H-pyrazol-4-ylamine hydrochloride

Database IDs

• CAS Number: 876343-24-7
• MDL Number: MFCD08461903
• PubChem SID: 160994662
• PubChem CID: 44630890

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.07105136
• LogD (pH = 7.4): -0.071012616
• Log P: -0.071012124
• Molar Refractivity: 44.4104 cm^3
• Polarizability: 11.878042 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false