4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

C18H17F2N5O3S — CID 55487829

IUPAC4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1
InChIInChI=1S/C18H17F2N5O3S/c1-10-8-11(2)22-18(21-10)25-15(9-12(3)24-25)23-16(26)13-4-6-14(7-5-13)29(27,28)17(19)20/h4-9,17H,1-3H3,(H,23,26)
InChIKeyRTXACSAXDMTNPB-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.84
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 55487829) has the molecular formula C18H17F2N5O3S and a molecular weight of 421.43 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
PubChem CID55487829
Molecular FormulaC18H17F2N5O3S
Molecular Weight421.43 g/mol
Exact Mass421.10
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1
InChIInChI=1S/C18H17F2N5O3S/c1-10-8-11(2)22-18(21-10)25-15(9-12(3)24-25)23-16(26)13-4-6-14(7-5-13)29(27,28)17(19)20/h4-9,17H,1-3H3,(H,23,26)
InChIKeyRTXACSAXDMTNPB-UHFFFAOYSA-N
XLogP2.84
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 2370782
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
CID 2395513
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 55377924
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide
CID 75519227
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567376
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
4-[[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 55445494
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
CID 2359697
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (CID 55487829) is 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is RTXACSAXDMTNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O3S/c1-10-8-11(2)22-18(21-10)25-15(9-12(3)24-25)23-16(26)13-4-6-14(7-5-13)29(27,28)17(19)20/h4-9,17H,1-3H3,(H,23,26).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 421.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 55487829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).