N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-2-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

• ChemBase ID: 449526
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c1(n[nH]c2c1CCC2)CN(C(=O)CC1c2c(CC1)cccc2)C
• Canonical SMILES: O=C(N(Cc1n[nH]c2c1CCC2)C)CC1CCc2c1cccc2
• InChI: InChI=1S/C19H23N3O/c1-22(12-18-16-7-4-8-17(16)20-21-18)19(23)11-14-10-9-13-5-2-3-6-15(13)14/h2-3,5-6,14H,4,7-12H2,1H3,(H,20,21)
• InChIKey: DMQLTNFIVRVUAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-2-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
• IUPAC Traditional name: N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-2-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.415944
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9144835
• LogD (pH = 7.4): 2.9145937
• Log P: 2.9145951
• Molar Refractivity: 92.0603 cm^3
• Polarizability: 34.65684 Å^3
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.95
• LOG S: -3.98
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 4