2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H19F3N4O — CID 71972874

IUPAC2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C16H19F3N4O/c1-10-15(11(2)23(3)22-10)21-14(24)9-20-13-6-4-5-12(7-13)8-16(17,18)19/h4-7,20H,8-9H2,1-3H3,(H,21,24)
InChIKeyTUBVGZLXKKUATK-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.19
Rot. Bonds5

About 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 71972874) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID71972874
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C16H19F3N4O/c1-10-15(11(2)23(3)22-10)21-14(24)9-20-13-6-4-5-12(7-13)8-16(17,18)19/h4-7,20H,8-9H2,1-3H3,(H,21,24)
InChIKeyTUBVGZLXKKUATK-UHFFFAOYSA-N
XLogP3.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 71972874) is 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CNc1cccc(CC(F)(F)F)c1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is TUBVGZLXKKUATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-10-15(11(2)23(3)22-10)21-14(24)9-20-13-6-4-5-12(7-13)8-16(17,18)19/h4-7,20H,8-9H2,1-3H3,(H,21,24).
What are the key properties of 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 340.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71972874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).