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

• ChemBase ID: 246164
• Molecular Formular: C9H13N5
• Molecular Mass: 191.23302
• Monoisotopic Mass: 191.11709544
• SMILES: c1(n2ncc(c2)C)c(c(nn1C)C)N
• Canonical SMILES: Cc1cnn(c1)c1n(C)nc(c1N)C
• InChI: InChI=1S/C9H13N5/c1-6-4-11-14(5-6)9-8(10)7(2)12-13(9)3/h4-5H,10H2,1-3H3
• InChIKey: XBZSOPHXDUXMER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12800608
• PubChem SID: 164302074
• PubChem CID: 60874597

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3896818
• LogD (pH = 7.4): 0.3920507
• Log P: 0.392081
• Molar Refractivity: 66.9095 cm^3
• Polarizability: 19.96122 Å^3
• Polar Surface Area: 61.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.179

Product Information

• Purity: 95%