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

• ChemBase ID: 351841
• Molecular Formular: C20H25N5O3
• Molecular Mass: 383.4442
• Monoisotopic Mass: 383.19573969
• SMILES: c1(c(n(c2nc(c3oc(cc3)C)ccn2)nc1)C)C(=O)N(C(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1cnn(c1C)c1nccc(n1)c1ccc(o1)C)C(C)C
• InChI: InChI=1S/C20H25N5O3/c1-13(2)24(10-11-27-5)19(26)16-12-22-25(15(16)4)20-21-9-8-17(23-20)18-7-6-14(3)28-18/h6-9,12-13H,10-11H2,1-5H3
• InChIKey: MFCQXVDDIPFYKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3311758
• LogD (pH = 7.4): 2.3311849
• Log P: 2.3311849
• Molar Refractivity: 107.5672 cm^3
• Polarizability: 40.89883 Å^3
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.54
• LOG S: -4.07
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 5