4-ethyl-1H-pyrazol-3-amine

• ChemBase ID: 90476
• Molecular Formular: C5H9N3
• Molecular Mass: 111.14506
• Monoisotopic Mass: 111.0796473
• SMILES: n1c(c(c[nH]1)CC)N
• Canonical SMILES: CCc1c[nH]nc1N
• InChI: InChI=1S/C5H9N3/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3,(H3,6,7,8)
• InChIKey: RDCODVKTTJWFAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 4-ethyl-1H-pyrazol-3-amine
• Synonyms: 4-Ethyl-1H-pyrazol-3-amine; 3-Amino-4-ethyl-1H-pyrazole; 4-ethyl-1H-pyrazol-3-amine; 3-AMINO-4-ETHYLPYRAZOLE

Database IDs

• CAS Number: 43024-15-3
• MDL Number: MFCD06797570
• PubChem SID: 162077281
• PubChem CID: 11789157

CALCULATED PROPERTIES

• Acid pKa: 17.48712
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9912524
• LogD (pH = 7.4): 1.000828
• Log P: 1.0009514
• Molar Refractivity: 34.4015 cm^3
• Polarizability: 11.873324 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.612

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 95%; 95+%; 98%