1-(3-methoxypropyl)-1H-pyrazol-3-amine

• ChemBase ID: 275789
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: n1c(ccn1CCCOC)N
• Canonical SMILES: COCCCn1ccc(n1)N
• InChI: InChI=1S/C7H13N3O/c1-11-6-2-4-10-5-3-7(8)9-10/h3,5H,2,4,6H2,1H3,(H2,8,9)
• InChIKey: AVBOUKLCSSMLNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxypropyl)-1H-pyrazol-3-amine
• IUPAC Traditional name: 1-(3-methoxypropyl)pyrazol-3-amine
• Synonyms: 1-(3-methoxypropyl)-1H-pyrazol-3-amine

Database IDs

• MDL Number: MFCD12768275
• PubChem SID: 164331699
• PubChem CID: 54593861

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17304668
• LogD (pH = 7.4): 0.17953828
• Log P: 0.17962168
• Molar Refractivity: 55.8842 cm^3
• Polarizability: 16.258127 Å^3
• Polar Surface Area: 53.07 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.121

Product Information

• Purity: 95%