2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

C8H9F3N4O2 — CID 62726533

IUPAC2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N4O2/c1-12-6(16)4-15-3-5(2-13-15)14-7(17)8(9,10)11/h2-3H,4H2,1H3,(H,12,16)(H,14,17)
InChIKeyAJHQOUOGORVSLW-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.13
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 62726533) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID62726533
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N4O2/c1-12-6(16)4-15-3-5(2-13-15)14-7(17)8(9,10)11/h2-3H,4H2,1H3,(H,12,16)(H,14,17)
InChIKeyAJHQOUOGORVSLW-UHFFFAOYSA-N
XLogP0.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (CID 62726533) is 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is CNC(=O)Cn1cc(NC(=O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is AJHQOUOGORVSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2/c1-12-6(16)4-15-3-5(2-13-15)14-7(17)8(9,10)11/h2-3H,4H2,1H3,(H,12,16)(H,14,17).
What are the key properties of 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 250.18 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 62726533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).