1-(3-methylbutyl)-1H-pyrazol-5-amine

• ChemBase ID: 251906
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(c(ccn1)N)CCC(C)C
• Canonical SMILES: CC(CCn1nccc1N)C
• InChI: InChI=1S/C8H15N3/c1-7(2)4-6-11-8(9)3-5-10-11/h3,5,7H,4,6,9H2,1-2H3
• InChIKey: RMKPIZYSPYTOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylbutyl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(3-methylbutyl)pyrazol-3-amine
• Synonyms: 1-(3-methylbutyl)-1H-pyrazol-5-amine

Database IDs

• CAS Number: 3524-21-8
• MDL Number: MFCD07838402
• PubChem SID: 164307816
• PubChem CID: 13560438

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2686327
• LogD (pH = 7.4): 1.2723415
• Log P: 1.272389
• Molar Refractivity: 57.3373 cm^3
• Polarizability: 17.395214 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.8

Product Information

• Purity: 95%