2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide

C7H8F3N3O — CID 19330841

IUPAC2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-13-3-2-5(12-13)4-11-6(14)7(8,9)10/h2-3H,4H2,1H3,(H,11,14)
InChIKeyOAYLHAWWRHQKLJ-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.60
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide

2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19330841) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19330841
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-13-3-2-5(12-13)4-11-6(14)7(8,9)10/h2-3H,4H2,1H3,(H,11,14)
InChIKeyOAYLHAWWRHQKLJ-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.60
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-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide (CID 19330841) is 2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide is Cn1ccc(CNC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is OAYLHAWWRHQKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13-3-2-5(12-13)4-11-6(14)7(8,9)10/h2-3H,4H2,1H3,(H,11,14).
What are the key properties of 2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 207.16 g/mol, XLogP of 0.60, 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-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19330841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).