1-(3-methylbutan-2-yl)-1H-pyrazol-5-amine

• ChemBase ID: 257248
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(c(ccn1)N)C(C(C)C)C
• Canonical SMILES: CC(C(n1nccc1N)C)C
• InChI: InChI=1S/C8H15N3/c1-6(2)7(3)11-8(9)4-5-10-11/h4-7H,9H2,1-3H3
• InChIKey: ZAOULOXSSNTGTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylbutan-2-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(3-methylbutan-2-yl)pyrazol-3-amine
• Synonyms: 1-(1,2-dimethylpropyl)-1H-pyrazol-5-amine

Database IDs

• CAS Number: 1015845-91-6
• MDL Number: MFCD08457391
• PubChem SID: 164313158
• PubChem CID: 16782262

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3188512
• LogD (pH = 7.4): 1.322305
• Log P: 1.3223491
• Molar Refractivity: 57.0781 cm^3
• Polarizability: 17.395042 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.577

Product Information

• Purity: 95%