2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O — CID 112549292

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nn(C)cc1CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-3-9-8(6-18(2)17-9)4-15-5-10(19)16-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyJPLNWCDXMGNECK-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.75
Rot. Bonds6

About 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112549292) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112549292
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nn(C)cc1CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-3-9-8(6-18(2)17-9)4-15-5-10(19)16-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyJPLNWCDXMGNECK-UHFFFAOYSA-N
XLogP0.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 112549292) is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CCc1nn(C)cc1CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JPLNWCDXMGNECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-9-8(6-18(2)17-9)4-15-5-10(19)16-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112549292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).