2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide

C12H10F3N3O2 — CID 54194788

IUPAC2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide
SMILESCc1cc(=O)n(-c2ccc(NC(=O)C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C12H10F3N3O2/c1-7-6-10(19)18(17-7)9-4-2-8(3-5-9)16-11(20)12(13,14)15/h2-6,17H,1H3,(H,16,20)
InChIKeyPLASPGUKXWYHCX-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.97
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide (PubChem CID 54194788) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide
PubChem CID54194788
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide
SMILESCc1cc(=O)n(-c2ccc(NC(=O)C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C12H10F3N3O2/c1-7-6-10(19)18(17-7)9-4-2-8(3-5-9)16-11(20)12(13,14)15/h2-6,17H,1H3,(H,16,20)
InChIKeyPLASPGUKXWYHCX-UHFFFAOYSA-N
XLogP1.97
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide (CID 54194788) is 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide is Cc1cc(=O)n(-c2ccc(NC(=O)C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide?
The InChIKey is PLASPGUKXWYHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7-6-10(19)18(17-7)9-4-2-8(3-5-9)16-11(20)12(13,14)15/h2-6,17H,1H3,(H,16,20).
What are the key properties of 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide has a molecular weight of 285.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 54194788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).