5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

C12H16F3N3O4S — CID 175806114

IUPAC5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(S(C)(=O)=O)cc1NC(=O)C1CCC(C)(C(F)(F)F)O1
InChIInChI=1S/C12H16F3N3O4S/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15/h6,9H,4-5H2,1-3H3,(H,16,19)
InChIKeyGNCTUUCXTSWKKQ-UHFFFAOYSA-N
MW355.34 g/mol
LogP1.44
Rot. Bonds3

About 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 175806114) has the molecular formula C12H16F3N3O4S and a molecular weight of 355.34 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID175806114
Molecular FormulaC12H16F3N3O4S
Molecular Weight355.34 g/mol
Exact Mass355.08
IUPAC Name5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(S(C)(=O)=O)cc1NC(=O)C1CCC(C)(C(F)(F)F)O1
InChIInChI=1S/C12H16F3N3O4S/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15/h6,9H,4-5H2,1-3H3,(H,16,19)
InChIKeyGNCTUUCXTSWKKQ-UHFFFAOYSA-N
XLogP1.44
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 166160926
CID 166160926
CID 166161260
CID 166161260
(5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211659
(2R,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211969
(2R,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 167211970
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806044
N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806235
(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160302
(2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide
CID 166160375
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160443
(2R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160798
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide
CID 166161004

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 175806114) is 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nn(S(C)(=O)=O)cc1NC(=O)C1CCC(C)(C(F)(F)F)O1.
What is the InChIKey of 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is GNCTUUCXTSWKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O4S/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15/h6,9H,4-5H2,1-3H3,(H,16,19).
What are the key properties of 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 175806114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).