2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H11F3N4O — CID 60998173

IUPAC2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1cc(C(NCC(F)(F)F)C(N)=O)cn1
InChIInChI=1S/C8H11F3N4O/c1-15-3-5(2-14-15)6(7(12)16)13-4-8(9,10)11/h2-3,6,13H,4H2,1H3,(H2,12,16)
InChIKeyIJXCPEXUAKTKCA-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.10
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 60998173) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID60998173
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1cc(C(NCC(F)(F)F)C(N)=O)cn1
InChIInChI=1S/C8H11F3N4O/c1-15-3-5(2-14-15)6(7(12)16)13-4-8(9,10)11/h2-3,6,13H,4H2,1H3,(H2,12,16)
InChIKeyIJXCPEXUAKTKCA-UHFFFAOYSA-N
XLogP0.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 60998173) is 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cn1cc(C(NCC(F)(F)F)C(N)=O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IJXCPEXUAKTKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-15-3-5(2-14-15)6(7(12)16)13-4-8(9,10)11/h2-3,6,13H,4H2,1H3,(H2,12,16).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 236.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 60998173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).