(3R,4S)-N,N-dimethyl-4-(propan-2-yl)-1-[3-(1H-pyrazol-1-yl)propyl]pyrrolidin-3-amine

• ChemBase ID: 816827
• Molecular Formular: C15H28N4
• Molecular Mass: 264.40962
• Monoisotopic Mass: 264.23139692
• SMILES: [C@H]1([C@H](CN(C1)CCCn1nccc1)N(C)C)C(C)C
• Canonical SMILES: CC([C@H]1CN(C[C@@H]1N(C)C)CCCn1cccn1)C
• InChI: InChI=1S/C15H28N4/c1-13(2)14-11-18(12-15(14)17(3)4)8-6-10-19-9-5-7-16-19/h5,7,9,13-15H,6,8,10-12H2,1-4H3/t14-,15+/m1/s1
• InChIKey: ZMFJVKPNEGJTQU-CABCVRRESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-N,N-dimethyl-4-(propan-2-yl)-1-[3-(1H-pyrazol-1-yl)propyl]pyrrolidin-3-amine
• IUPAC Traditional name: (3R,4S)-4-isopropyl-N,N-dimethyl-1-[3-(pyrazol-1-yl)propyl]pyrrolidin-3-amine
• Synonyms: (3R*,4S*)-4-isopropyl-N,N-dimethyl-1-[3-(1H-pyrazol-1-yl)propyl]-3-pyrrolidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.478928
• LogD (pH = 7.4): -1.2842271
• Log P: 1.6574678
• Molar Refractivity: 91.9976 cm^3
• Polarizability: 31.491661 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.82
• LOG S: -1.68
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6