N-[(3S,4S)-4-methoxy-1-(propan-2-yl)pyrrolidin-3-yl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide

• ChemBase ID: 637452
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(n[nH]c2c1CCC2)C(=O)N[C@H]1CN(C[C@@H]1OC)C(C)C
• Canonical SMILES: CO[C@H]1CN(C[C@@H]1NC(=O)c1n[nH]c2c1CCC2)C(C)C
• InChI: InChI=1S/C15H24N4O2/c1-9(2)19-7-12(13(8-19)21-3)16-15(20)14-10-5-4-6-11(10)17-18-14/h9,12-13H,4-8H2,1-3H3,(H,16,20)(H,17,18)/t12-,13-/m0/s1
• InChIKey: XSMZLFBWRYACDH-STQMWFEESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4S)-4-methoxy-1-(propan-2-yl)pyrrolidin-3-yl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• IUPAC Traditional name: N-[(3S,4S)-1-isopropyl-4-methoxypyrrolidin-3-yl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• Synonyms: N-[(3S*,4S*)-1-isopropyl-4-methoxypyrrolidin-3-yl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.017791
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1726491
• LogD (pH = 7.4): 0.5782196
• Log P: 1.2024369
• Molar Refractivity: 81.8626 cm^3
• Polarizability: 30.863848 Å^3
• Polar Surface Area: 70.25 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: -2.59
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 4