1-(methoxymethyl)-N-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine

• ChemBase ID: 690317
• Molecular Formular: C14H25N3O
• Molecular Mass: 251.3678
• Monoisotopic Mass: 251.19976244
• SMILES: c1(c(nn(c1)CCC)C)CN(C1(CC1)COC)C
• Canonical SMILES: CCCn1nc(c(c1)CN(C1(COC)CC1)C)C
• InChI: InChI=1S/C14H25N3O/c1-5-8-17-10-13(12(2)15-17)9-16(3)14(6-7-14)11-18-4/h10H,5-9,11H2,1-4H3
• InChIKey: MODBVGHBWFVQEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-(methoxymethyl)-N-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]cyclopropan-1-amine
• Synonyms: 1-(methoxymethyl)-N-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.69823307
• LogD (pH = 7.4): 1.0558374
• Log P: 1.6955609
• Molar Refractivity: 85.5125 cm^3
• Polarizability: 28.71706 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.52
• LOG S: -1.32
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7