N-[(1R,3R)-3-aminocyclopentyl]-5-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxamide

• ChemBase ID: 550115
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(c(n(nc1)c1ncccc1)C)C(=O)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1cnn(c1C)c1ccccn1
• InChI: InChI=1S/C15H19N5O/c1-10-13(15(21)19-12-6-5-11(16)8-12)9-18-20(10)14-4-2-3-7-17-14/h2-4,7,9,11-12H,5-6,8,16H2,1H3,(H,19,21)/t11-,12-/m1/s1
• InChIKey: NDVOZCQKZKKHBL-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-5-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-5-methyl-1-(pyridin-2-yl)pyrazole-4-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-5-methyl-1-pyridin-2-yl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.735361
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.5207927
• LogD (pH = 7.4): -1.9715961
• Log P: 0.49803466
• Molar Refractivity: 81.3977 cm^3
• Polarizability: 30.451092 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.95
• LOG S: -2.09
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 3