1-(2-methylpropyl)-1H-pyrazol-4-amine

• ChemBase ID: 284148
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1(ncc(c1)N)CC(C)C
• Canonical SMILES: CC(Cn1ncc(c1)N)C
• InChI: InChI=1S/C7H13N3/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4,8H2,1-2H3
• InChIKey: SGUQYNMBZJPCLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-(2-methylpropyl)pyrazol-4-amine
• Synonyms: 1-(2-methylpropyl)-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD11128192
• PubChem SID: 180669679
• PubChem CID: 17856047

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8164443
• LogD (pH = 7.4): 0.8164826
• Log P: 0.8164831
• Molar Refractivity: 53.406 cm^3
• Polarizability: 15.556121 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.929

Product Information

• Purity: 95%