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

• ChemBase ID: 65764
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: [nH]1nc(cc1OCC1CC1)N
• Canonical SMILES: Nc1cc([nH]n1)OCC1CC1
• InChI: InChI=1S/C7H11N3O/c8-6-3-7(10-9-6)11-4-5-1-2-5/h3,5H,1-2,4H2,(H3,8,9,10)
• InChIKey: JAKPVUNMPKWQQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(cyclopropylmethoxy)-1H-pyrazol-3-amine
• IUPAC Traditional name: 5-(cyclopropylmethoxy)-1H-pyrazol-3-amine
• Synonyms: 5-(Cyclopropylmethoxy)-1H-pyrazol-3-amine

Database IDs

• CAS Number: 852443-66-4
• MDL Number: MFCD20724093
• PubChem SID: 162031503
• PubChem CID: 56973361

CALCULATED PROPERTIES

• Molar Refractivity: 42.4178 cm^3
• Polarizability: 15.606006 Å^3
• Polar Surface Area: 63.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.306114
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7437252
• LogD (pH = 7.4): 0.75501204
• Log P: 0.7551584

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%