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

• ChemBase ID: 245571
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(ncc(c1C)N)CC(C)C
• Canonical SMILES: CC(Cn1ncc(c1C)N)C
• InChI: InChI=1S/C8H15N3/c1-6(2)5-11-7(3)8(9)4-10-11/h4,6H,5,9H2,1-3H3
• InChIKey: OUGBETNWWUUCEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-amine
• IUPAC Traditional name: 5-methyl-1-(2-methylpropyl)pyrazol-4-amine
• Synonyms: 5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD06805450
• PubChem SID: 164301481
• PubChem CID: 19620096

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0159519
• LogD (pH = 7.4): 1.0160433
• Log P: 1.0160444
• Molar Refractivity: 58.5557 cm^3
• Polarizability: 17.318228 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.148

Product Information

• Purity: 95%