1-tert-butyl-1H-pyrazol-3-amine

• ChemBase ID: 259473
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1(nc(cc1)N)C(C)(C)C
• Canonical SMILES: CC(n1ccc(n1)N)(C)C
• InChI: InChI=1S/C7H13N3/c1-7(2,3)10-5-4-6(8)9-10/h4-5H,1-3H3,(H2,8,9)
• InChIKey: VLQPUERRGYFDSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 1-tert-butylpyrazol-3-amine
• Synonyms: 1-tert-butyl-1H-pyrazol-3-amine

Database IDs

• MDL Number: MFCD11149273
• PubChem SID: 164315383
• PubChem CID: 13217572

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.214907
• LogD (pH = 7.4): 1.220525
• Log P: 1.2205971
• Molar Refractivity: 53.7809 cm^3
• Polarizability: 15.547743 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.709

Product Information

• Purity: 95%