2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide

C24H23N5O4S — CID 118172240

IUPAC2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1nn(Cc2cccc(S(C)(=O)=O)c2)c(C)c1NC(=O)c1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C24H23N5O4S/c1-14-22(15(2)29(28-14)13-16-7-6-8-17(11-16)34(3,32)33)27-24(31)21-12-19(23(25)30)18-9-4-5-10-20(18)26-21/h4-12H,13H2,1-3H3,(H2,25,30)(H,27,31)
InChIKeyZISGSLVGRHPIBT-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.85
Rot. Bonds6

About 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide

2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 118172240) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide
PubChem CID118172240
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1nn(Cc2cccc(S(C)(=O)=O)c2)c(C)c1NC(=O)c1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C24H23N5O4S/c1-14-22(15(2)29(28-14)13-16-7-6-8-17(11-16)34(3,32)33)27-24(31)21-12-19(23(25)30)18-9-4-5-10-20(18)26-21/h4-12H,13H2,1-3H3,(H2,25,30)(H,27,31)
InChIKeyZISGSLVGRHPIBT-UHFFFAOYSA-N
XLogP2.85
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171849
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
4-N-[1-[[3-(1-hydroxyethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172657
4-N-[1-[(4-acetylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 140770531
2-N-[1-[(3-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171356
5-fluoro-4-N-[5-methyl-1-[(3-methylsulfonylphenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172118
2-N-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172437
2-N-[1-[(1-butylsulfonylpiperidin-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172341
2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118678442
2-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171690
2-N-[1-[2-(4-cyanophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172475
2-N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118172328

Frequently Asked Questions

What is the IUPAC name of 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide?
The IUPAC name of 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide (CID 118172240) is 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide?
The canonical SMILES for 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide is Cc1nn(Cc2cccc(S(C)(=O)=O)c2)c(C)c1NC(=O)c1cc(C(N)=O)c2ccccc2n1.
What is the InChIKey of 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide?
The InChIKey is ZISGSLVGRHPIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-14-22(15(2)29(28-14)13-16-7-6-8-17(11-16)34(3,32)33)27-24(31)21-12-19(23(25)30)18-9-4-5-10-20(18)26-21/h4-12H,13H2,1-3H3,(H2,25,30)(H,27,31).
What are the key properties of 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide?
2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 118172240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).