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

C11H14F3N3O4S — CID 175806235

IUPACN-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(S(C)(=O)=O)cc1NC(=O)C1CCC(C(F)(F)F)O1
InChIInChI=1S/C11H14F3N3O4S/c1-6-7(5-17(16-6)22(2,19)20)15-10(18)8-3-4-9(21-8)11(12,13)14/h5,8-9H,3-4H2,1-2H3,(H,15,18)
InChIKeyPBJZHKUAIZNQGZ-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.05
Rot. Bonds3

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

N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 175806235) has the molecular formula C11H14F3N3O4S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID175806235
Molecular FormulaC11H14F3N3O4S
Molecular Weight341.31 g/mol
Exact Mass341.07
IUPAC NameN-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(S(C)(=O)=O)cc1NC(=O)C1CCC(C(F)(F)F)O1
InChIInChI=1S/C11H14F3N3O4S/c1-6-7(5-17(16-6)22(2,19)20)15-10(18)8-3-4-9(21-8)11(12,13)14/h5,8-9H,3-4H2,1-2H3,(H,15,18)
InChIKeyPBJZHKUAIZNQGZ-UHFFFAOYSA-N
XLogP1.05
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.05
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-dimethyloxolane-2-carboxamide
CID 167211970
5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806114
(2S,5R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
CID 138026771
(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160302
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
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166161030
5-methyl-N-(3-methyl-1-methylsulfinylpyrazol-4-yl)oxolane-2-carboxamide
CID 166160187

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 175806235) is N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nn(S(C)(=O)=O)cc1NC(=O)C1CCC(C(F)(F)F)O1.
What is the InChIKey of N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is PBJZHKUAIZNQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O4S/c1-6-7(5-17(16-6)22(2,19)20)15-10(18)8-3-4-9(21-8)11(12,13)14/h5,8-9H,3-4H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 341.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 175806235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).