1-tert-butyl-1H-pyrazol-5-amine

• ChemBase ID: 259472
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1(c(ccn1)N)C(C)(C)C
• Canonical SMILES: Nc1ccnn1C(C)(C)C
• InChI: InChI=1S/C7H13N3/c1-7(2,3)10-6(8)4-5-9-10/h4-5H,8H2,1-3H3
• InChIKey: NDKNRZPWSLAZNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-tert-butylpyrazol-3-amine
• Synonyms: 1-tert-butyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD11054260
• PubChem SID: 164315382
• PubChem CID: 39869098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7121181
• LogD (pH = 7.4): 0.7153887
• Log P: 0.71543056
• Molar Refractivity: 52.7207 cm^3
• Polarizability: 15.553587 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%