N-(1-methyl-1H-pyrazol-4-yl)-4-[1-(propan-2-yl)-1H-indol-3-yl]butanamide

• ChemBase ID: 225910
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1(cc(c2c1cccc2)CCCC(=O)Nc1cn(nc1)C)C(C)C
• Canonical SMILES: O=C(Nc1cnn(c1)C)CCCc1cn(c2c1cccc2)C(C)C
• InChI: InChI=1S/C19H24N4O/c1-14(2)23-12-15(17-8-4-5-9-18(17)23)7-6-10-19(24)21-16-11-20-22(3)13-16/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,21,24)
• InChIKey: DWABCVJNCYOKDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-pyrazol-4-yl)-4-[1-(propan-2-yl)-1H-indol-3-yl]butanamide
• IUPAC Traditional name: 4-(1-isopropylindol-3-yl)-N-(1-methylpyrazol-4-yl)butanamide

Database IDs

• PubChem SID: 164281820
• PubChem CID: 71691918

CALCULATED PROPERTIES

• Acid pKa: 11.842239
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.458092
• LogD (pH = 7.4): 3.4580991
• Log P: 3.4581144
• Molar Refractivity: 108.8989 cm^3
• Polarizability: 37.71764 Å^3
• Polar Surface Area: 51.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds