1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

• ChemBase ID: 122289
• Molecular Formular: C12H19N5
• Molecular Mass: 233.31276
• Monoisotopic Mass: 233.16404563
• SMILES: n1(nc(c(c1C)N)C)Cc1c(n(nc1)CC)C
• Canonical SMILES: CCn1ncc(c1C)Cn1nc(c(c1C)N)C
• InChI: InChI=1S/C12H19N5/c1-5-16-9(3)11(6-14-16)7-17-10(4)12(13)8(2)15-17/h6H,5,7,13H2,1-4H3
• InChIKey: LDNPIQWEOFZKAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine
• Synonyms: 1-((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine

Database IDs

• PubChem SID: 162216642
• PubChem CID: 7017745

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6106808
• LogD (pH = 7.4): 0.6117996
• Log P: 0.61181384
• Molar Refractivity: 92.8173 cm^3
• Polarizability: 25.3263 Å^3
• Polar Surface Area: 61.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true