2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C6H6F3N3O — CID 15312520

IUPAC2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)n[nH]1
InChIInChI=1S/C6H6F3N3O/c1-3-2-4(12-11-3)10-5(13)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyCVGPCNYDFWPKDZ-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.22
Rot. Bonds1

About 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 15312520) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID15312520
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)n[nH]1
InChIInChI=1S/C6H6F3N3O/c1-3-2-4(12-11-3)10-5(13)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyCVGPCNYDFWPKDZ-UHFFFAOYSA-N
XLogP1.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 15312520) is 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)C(F)(F)F)n[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is CVGPCNYDFWPKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-3-2-4(12-11-3)10-5(13)6(7,8)9/h2H,1H3,(H2,10,11,12,13).
What are the key properties of 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 193.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 15312520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).