2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C13H19F3N4O4S — CID 8009640

IUPAC2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H19F3N4O4S/c1-9-12(25(22,23)19-3-5-24-6-4-19)10(2)20(18-9)7-11(21)17-8-13(14,15)16/h3-8H2,1-2H3,(H,17,21)
InChIKeyNAVZSJJHMSJNCO-UHFFFAOYSA-N
MW384.38 g/mol
LogP0.20
Rot. Bonds5

About 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 8009640) has the molecular formula C13H19F3N4O4S and a molecular weight of 384.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID8009640
Molecular FormulaC13H19F3N4O4S
Molecular Weight384.38 g/mol
Exact Mass384.11
IUPAC Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H19F3N4O4S/c1-9-12(25(22,23)19-3-5-24-6-4-19)10(2)20(18-9)7-11(21)17-8-13(14,15)16/h3-8H2,1-2H3,(H,17,21)
InChIKeyNAVZSJJHMSJNCO-UHFFFAOYSA-N
XLogP0.20
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 8009640) is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NAVZSJJHMSJNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O4S/c1-9-12(25(22,23)19-3-5-24-6-4-19)10(2)20(18-9)7-11(21)17-8-13(14,15)16/h3-8H2,1-2H3,(H,17,21).
What are the key properties of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 384.38 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 8009640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).