4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H-pyrazol-5-amine

• ChemBase ID: 266764
• Molecular Formular: C9H11N5O
• Molecular Mass: 205.21654
• Monoisotopic Mass: 205.09636
• SMILES: c1(c2nc(no2)C2CC2)c(n(nc1)C)N
• Canonical SMILES: Cn1ncc(c1N)c1onc(n1)C1CC1
• InChI: InChI=1S/C9H11N5O/c1-14-7(10)6(4-11-14)9-12-8(13-15-9)5-2-3-5/h4-5H,2-3,10H2,1H3
• InChIKey: UOOKPCHLWPOOPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpyrazol-3-amine
• Synonyms: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD11118388
• PubChem SID: 164322674
• PubChem CID: 29044722

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6087242
• LogD (pH = 7.4): 0.6091609
• Log P: 0.60916644
• Molar Refractivity: 76.6564 cm^3
• Polarizability: 20.199377 Å^3
• Polar Surface Area: 82.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): -0.255

Product Information

• Purity: 95%