N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-en-1-amine

• ChemBase ID: 664078
• Molecular Formular: C13H19N3
• Molecular Mass: 217.31006
• Monoisotopic Mass: 217.15789762
• SMILES: c1(cn(nc1)C)CN(C1CC1)C1CC=CC1
• Canonical SMILES: Cn1ncc(c1)CN(C1CC1)C1CC=CC1
• InChI: InChI=1S/C13H19N3/c1-15-9-11(8-14-15)10-16(13-6-7-13)12-4-2-3-5-12/h2-3,8-9,12-13H,4-7,10H2,1H3
• InChIKey: GGAWPCUEPCHERK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-en-1-amine
• IUPAC Traditional name: N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
• Synonyms: N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3145581
• LogD (pH = 7.4): 0.34427157
• Log P: 1.8008474
• Molar Refractivity: 78.2451 cm^3
• Polarizability: 25.301592 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.54
• LOG S: -1.09
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4