2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

C9H5ClF3N3O — CID 170919950

IUPAC2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESO=C1CC(C(F)(F)F)=NN1c1ccc(Cl)cn1
InChIInChI=1S/C9H5ClF3N3O/c10-5-1-2-7(14-4-5)16-8(17)3-6(15-16)9(11,12)13/h1-2,4H,3H2
InChIKeyNBSAJPXBLVKKJW-UHFFFAOYSA-N
MW263.61 g/mol
LogP2.39
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one (PubChem CID 170919950) has the molecular formula C9H5ClF3N3O and a molecular weight of 263.61 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
PubChem CID170919950
Molecular FormulaC9H5ClF3N3O
Molecular Weight263.61 g/mol
Exact Mass263.01
IUPAC Name2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESO=C1CC(C(F)(F)F)=NN1c1ccc(Cl)cn1
InChIInChI=1S/C9H5ClF3N3O/c10-5-1-2-7(14-4-5)16-8(17)3-6(15-16)9(11,12)13/h1-2,4H,3H2
InChIKeyNBSAJPXBLVKKJW-UHFFFAOYSA-N
XLogP2.39
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 83398209
2-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 79149899
5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
CID 61389260
2-(3-amino-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 131874580
2-(3-amino-4-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 131874581
2-(5-fluoro-2-pyridinyl)-5-methyl-4H-pyrazol-3-one
CID 176698982
2-benzyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 18922588
5-tert-butyl-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 43348631
5-tert-butyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822644
1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183872
2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one
CID 150947445
4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
CID 43521189

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one (CID 170919950) is 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one is O=C1CC(C(F)(F)F)=NN1c1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one?
The InChIKey is NBSAJPXBLVKKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O/c10-5-1-2-7(14-4-5)16-8(17)3-6(15-16)9(11,12)13/h1-2,4H,3H2.
What are the key properties of 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one?
2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one has a molecular weight of 263.61 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 170919950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).