N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide

C20H26F2N4O3S — CID 46345113

IUPACN-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2ccc(F)cc2F)c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C20H26F2N4O3S/c1-13-6-9-25(10-7-13)30(28,29)20-14(2)24-26(15(20)3)11-8-19(27)23-18-5-4-16(21)12-17(18)22/h4-5,12-13H,6-11H2,1-3H3,(H,23,27)
InChIKeyLKUDQGOMCDSBNI-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.23
Rot. Bonds6

About N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide

N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide (PubChem CID 46345113) has the molecular formula C20H26F2N4O3S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
PubChem CID46345113
Molecular FormulaC20H26F2N4O3S
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC NameN-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2ccc(F)cc2F)c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C20H26F2N4O3S/c1-13-6-9-25(10-7-13)30(28,29)20-14(2)24-26(15(20)3)11-8-19(27)23-18-5-4-16(21)12-17(18)22/h4-5,12-13H,6-11H2,1-3H3,(H,23,27)
InChIKeyLKUDQGOMCDSBNI-UHFFFAOYSA-N
XLogP3.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345111
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531
N-(3-acetylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345123
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 46345116
4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53139514
N-cycloheptyl-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 50794548
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794622
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 50794645
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8561821
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
[2-(2,4-difluoroanilino)-2-oxoethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 46822557

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide (CID 46345113) is N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide is Cc1nn(CCC(=O)Nc2ccc(F)cc2F)c(C)c1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide?
The InChIKey is LKUDQGOMCDSBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O3S/c1-13-6-9-25(10-7-13)30(28,29)20-14(2)24-26(15(20)3)11-8-19(27)23-18-5-4-16(21)12-17(18)22/h4-5,12-13H,6-11H2,1-3H3,(H,23,27).
What are the key properties of N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide?
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide has a molecular weight of 440.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide is sourced from PubChem (CID 46345113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).