2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H15F3N4O2 — CID 113463443

IUPAC2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1c(C(NCC(F)(F)F)C(N)=O)c(C)nn1C
InChIInChI=1S/C10H15F3N4O2/c1-5-6(9(19-3)17(2)16-5)7(8(14)18)15-4-10(11,12)13/h7,15H,4H2,1-3H3,(H2,14,18)
InChIKeyKEMVIVKPZGZEBL-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.42
Rot. Bonds5

About 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113463443) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113463443
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1c(C(NCC(F)(F)F)C(N)=O)c(C)nn1C
InChIInChI=1S/C10H15F3N4O2/c1-5-6(9(19-3)17(2)16-5)7(8(14)18)15-4-10(11,12)13/h7,15H,4H2,1-3H3,(H2,14,18)
InChIKeyKEMVIVKPZGZEBL-UHFFFAOYSA-N
XLogP0.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 113463443) is 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is COc1c(C(NCC(F)(F)F)C(N)=O)c(C)nn1C.
What is the InChIKey of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KEMVIVKPZGZEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-5-6(9(19-3)17(2)16-5)7(8(14)18)15-4-10(11,12)13/h7,15H,4H2,1-3H3,(H2,14,18).
What are the key properties of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 280.25 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113463443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).