4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine

C12H19F2N3O3S — CID 19614779

IUPAC4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H19F2N3O3S/c1-7-5-16(6-8(2)20-7)21(18,19)11-9(3)15-17(10(11)4)12(13)14/h7-8,12H,5-6H2,1-4H3
InChIKeyUGVFZGXOHQLCAL-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.69
Rot. Bonds3

About 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine

4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 19614779) has the molecular formula C12H19F2N3O3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine
PubChem CID19614779
Molecular FormulaC12H19F2N3O3S
Molecular Weight323.37 g/mol
Exact Mass323.11
IUPAC Name4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H19F2N3O3S/c1-7-5-16(6-8(2)20-7)21(18,19)11-9(3)15-17(10(11)4)12(13)14/h7-8,12H,5-6H2,1-4H3
InChIKeyUGVFZGXOHQLCAL-UHFFFAOYSA-N
XLogP1.69
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine (CID 19614779) is 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine is Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is UGVFZGXOHQLCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O3S/c1-7-5-16(6-8(2)20-7)21(18,19)11-9(3)15-17(10(11)4)12(13)14/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine?
4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 323.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 19614779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).