2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide

C20H20F3N5O3S — CID 60508959

IUPAC2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H20F3N5O3S/c1-12-17(9-19(29)26-10-14-4-3-5-16(8-14)32(24,30)31)13(2)28(27-12)18-7-6-15(11-25-18)20(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,26,29)(H2,24,30,31)
InChIKeyLJWRDAUAXMOFPB-UHFFFAOYSA-N
MW467.47 g/mol
LogP2.41
Rot. Bonds6

About 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide

2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide (PubChem CID 60508959) has the molecular formula C20H20F3N5O3S and a molecular weight of 467.47 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide
PubChem CID60508959
Molecular FormulaC20H20F3N5O3S
Molecular Weight467.47 g/mol
Exact Mass467.12
IUPAC Name2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H20F3N5O3S/c1-12-17(9-19(29)26-10-14-4-3-5-16(8-14)32(24,30)31)13(2)28(27-12)18-7-6-15(11-25-18)20(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,26,29)(H2,24,30,31)
InChIKeyLJWRDAUAXMOFPB-UHFFFAOYSA-N
XLogP2.41
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide (CID 60508959) is 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide is Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide?
The InChIKey is LJWRDAUAXMOFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3S/c1-12-17(9-19(29)26-10-14-4-3-5-16(8-14)32(24,30)31)13(2)28(27-12)18-7-6-15(11-25-18)20(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,26,29)(H2,24,30,31).
What are the key properties of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide?
2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide has a molecular weight of 467.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(3-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 60508959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).