2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide

C6H6F3N3O2 — CID 83398771

IUPAC2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide
SMILESNC(=O)CC1C(=O)NN=C1C(F)(F)F
InChIInChI=1S/C6H6F3N3O2/c7-6(8,9)4-2(1-3(10)13)5(14)12-11-4/h2H,1H2,(H2,10,13)(H,12,14)
InChIKeySWVFRTVQJJRIDS-UHFFFAOYSA-N
MW209.13 g/mol
LogP-0.47
Rot. Bonds2

About 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide

2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide (PubChem CID 83398771) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide
PubChem CID83398771
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Name2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide
SMILESNC(=O)CC1C(=O)NN=C1C(F)(F)F
InChIInChI=1S/C6H6F3N3O2/c7-6(8,9)4-2(1-3(10)13)5(14)12-11-4/h2H,1H2,(H2,10,13)(H,12,14)
InChIKeySWVFRTVQJJRIDS-UHFFFAOYSA-N
XLogP-0.47
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
CID 12027506
3-(2,2,2-trifluoroacetyl)-1H-pyrazol-5(4H)-one
CID 45080793
3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
CID 102344958
2-(3-Hydroxy-5-methyl-4H-pyrazol-4-yl)acetamide
CID 121227544

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide?
The IUPAC name of 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide (CID 83398771) is 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide?
The canonical SMILES for 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide is NC(=O)CC1C(=O)NN=C1C(F)(F)F.
What is the InChIKey of 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide?
The InChIKey is SWVFRTVQJJRIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2/c7-6(8,9)4-2(1-3(10)13)5(14)12-11-4/h2H,1H2,(H2,10,13)(H,12,14).
What are the key properties of 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide?
2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide has a molecular weight of 209.13 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide is sourced from PubChem (CID 83398771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).