3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide

C18H19F3N4O3S — CID 42949989

IUPAC3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C18H19F3N4O3S/c1-10(24-29(26,27)17-11(2)23-28-13(17)4)16-9-22-25(12(16)3)15-7-5-6-14(8-15)18(19,20)21/h5-10,24H,1-4H3
InChIKeyJMMWUYTXHYDHSG-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.84
Rot. Bonds5

About 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 42949989) has the molecular formula C18H19F3N4O3S and a molecular weight of 428.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID42949989
Molecular FormulaC18H19F3N4O3S
Molecular Weight428.44 g/mol
Exact Mass428.11
IUPAC Name3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C18H19F3N4O3S/c1-10(24-29(26,27)17-11(2)23-28-13(17)4)16-9-22-25(12(16)3)15-7-5-6-14(8-15)18(19,20)21/h5-10,24H,1-4H3
InChIKeyJMMWUYTXHYDHSG-UHFFFAOYSA-N
XLogP3.84
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide (CID 42949989) is 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is JMMWUYTXHYDHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S/c1-10(24-29(26,27)17-11(2)23-28-13(17)4)16-9-22-25(12(16)3)15-7-5-6-14(8-15)18(19,20)21/h5-10,24H,1-4H3.
What are the key properties of 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 428.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 42949989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).