N-(2-methoxyethyl)-5-methyl-N-(propan-2-yl)-1-[4-(thiophen-2-yl)pyrimidin-2-yl]-1H-pyrazole-4-carboxamide

• ChemBase ID: 569654
• Molecular Formular: C19H23N5O2S
• Molecular Mass: 385.48322
• Monoisotopic Mass: 385.157246
• SMILES: c1(c(n(c2nc(c3sccc3)ccn2)nc1)C)C(=O)N(C(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1cnn(c1C)c1nccc(n1)c1cccs1)C(C)C
• InChI: InChI=1S/C19H23N5O2S/c1-13(2)23(9-10-26-4)18(25)15-12-21-24(14(15)3)19-20-8-7-16(22-19)17-6-5-11-27-17/h5-8,11-13H,9-10H2,1-4H3
• InChIKey: SCOQMYQLHRKKOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-5-methyl-N-(propan-2-yl)-1-[4-(thiophen-2-yl)pyrimidin-2-yl]-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: N-isopropyl-N-(2-methoxyethyl)-5-methyl-1-[4-(thiophen-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
• Synonyms: N-isopropyl-N-(2-methoxyethyl)-5-methyl-1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.848516
• LogD (pH = 7.4): 2.8485248
• Log P: 2.848525
• Molar Refractivity: 106.9165 cm^3
• Polarizability: 40.923237 Å^3
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.77
• LOG S: -4.02
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 5