N-[(3S,4R)-1-{1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbonyl}-4-propylpyrrolidin-3-yl]methanesulfonamide

• ChemBase ID: 839474
• Molecular Formular: C15H24N4O3S
• Molecular Mass: 340.44106
• Monoisotopic Mass: 340.15691165
• SMILES: c1(n[nH]c2c1CCC2)C(=O)N1C[C@@H](NS(=O)(=O)C)[C@@H](C1)CCC
• Canonical SMILES: CCC[C@@H]1CN(C[C@H]1NS(=O)(=O)C)C(=O)c1n[nH]c2c1CCC2
• InChI: InChI=1S/C15H24N4O3S/c1-3-5-10-8-19(9-13(10)18-23(2,21)22)15(20)14-11-6-4-7-12(11)16-17-14/h10,13,18H,3-9H2,1-2H3,(H,16,17)/t10-,13-/m1/s1
• InChIKey: OQGVVUXLLKZRJR-ZWNOBZJWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-1-{1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbonyl}-4-propylpyrrolidin-3-yl]methanesulfonamide
• IUPAC Traditional name: N-[(3S,4R)-1-{1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbonyl}-4-propylpyrrolidin-3-yl]methanesulfonamide
• Synonyms: N-[(3S*,4R*)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)-3-pyrrolidinyl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.532381
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5666086
• LogD (pH = 7.4): 0.5663325
• Log P: 0.5666161
• Molar Refractivity: 88.3375 cm^3
• Polarizability: 34.01899 Å^3
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.06
• LOG S: -2.94
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 4