1-cyclopentyl-5-oxo-N-[3-(trimethyl-1H-pyrazol-1-yl)propyl]pyrrolidine-3-carboxamide

• ChemBase ID: 747301
• Molecular Formular: C19H30N4O2
• Molecular Mass: 346.4671
• Monoisotopic Mass: 346.23687622
• SMILES: n1n(c(c(c1C)C)C)CCCNC(=O)C1CN(C(=O)C1)C1CCCC1
• Canonical SMILES: O=C(C1CN(C(=O)C1)C1CCCC1)NCCCn1nc(c(c1C)C)C
• InChI: InChI=1S/C19H30N4O2/c1-13-14(2)21-23(15(13)3)10-6-9-20-19(25)16-11-18(24)22(12-16)17-7-4-5-8-17/h16-17H,4-12H2,1-3H3,(H,20,25)
• InChIKey: RXCUCOUWVBNQTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-5-oxo-N-[3-(trimethyl-1H-pyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-5-oxo-N-[3-(trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propyl]-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.730311
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.92532647
• LogD (pH = 7.4): 0.92801327
• Log P: 0.9280476
• Molar Refractivity: 109.0128 cm^3
• Polarizability: 37.337463 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: 1.53
• LOG S: -3.03
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6