1-cyclopentyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 856437
• Molecular Formular: C17H23F3N4O2
• Molecular Mass: 372.3853296
• Monoisotopic Mass: 372.17731066
• SMILES: c1(nn(c(c1)C)CCNC(=O)C1CN(C(=O)C1)C1CCCC1)C(F)(F)F
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)NCCn1nc(cc1C)C(F)(F)F
• InChI: InChI=1S/C17H23F3N4O2/c1-11-8-14(17(18,19)20)22-24(11)7-6-21-16(26)12-9-15(25)23(10-12)13-4-2-3-5-13/h8,12-13H,2-7,9-10H2,1H3,(H,21,26)
• InChIKey: QTAHNMHUKKHPOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-{2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl}-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.940382
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4869915
• LogD (pH = 7.4): 1.486995
• Log P: 1.4869951
• Molar Refractivity: 100.1164 cm^3
• Polarizability: 33.205753 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.36
• LOG S: -3.08
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6