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

• ChemBase ID: 247238
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1(c(ccn1)N)CC(C)C
• Canonical SMILES: CC(Cn1nccc1N)C
• InChI: InChI=1S/C7H13N3/c1-6(2)5-10-7(8)3-4-9-10/h3-4,6H,5,8H2,1-2H3
• InChIKey: AGAFAORHXSFBGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3524-18-3
• MDL Number: MFCD06655406
• PubChem SID: 164303148
• PubChem CID: 4962021

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9020375
• LogD (pH = 7.4): 0.90572685
• Log P: 0.9057741
• Molar Refractivity: 52.6593 cm^3
• Polarizability: 15.553879 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.929

Product Information

• Purity: 95%