2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C9H12F3N3O — CID 19282266

IUPAC2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CNC(=O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5-7(6(2)15(3)14-5)4-13-8(16)9(10,11)12/h4H2,1-3H3,(H,13,16)
InChIKeyLJBXMRHMOPTLED-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.22
Rot. Bonds2

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

2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 19282266) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID19282266
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CNC(=O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5-7(6(2)15(3)14-5)4-13-8(16)9(10,11)12/h4H2,1-3H3,(H,13,16)
InChIKeyLJBXMRHMOPTLED-UHFFFAOYSA-N
XLogP1.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 19282266) is 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is LJBXMRHMOPTLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-7(6(2)15(3)14-5)4-13-8(16)9(10,11)12/h4H2,1-3H3,(H,13,16).
What are the key properties of 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 235.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19282266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).