ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one

C12H14F3N3O — CID 178058322

IUPACethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one
SMILESCC.Cn1nc(C(F)(F)F)cc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C10H8F3N3O.C2H6/c1-16-7(4-8(15-16)10(11,12)13)6-2-3-9(17)14-5-6;1-2/h2-5H,1H3,(H,14,17);1-2H3
InChIKeyCYRPXVFUBPLRTJ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.82
Rot. Bonds1

About ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one

ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one (PubChem CID 178058322) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one
PubChem CID178058322
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Nameethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one
SMILESCC.Cn1nc(C(F)(F)F)cc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C10H8F3N3O.C2H6/c1-16-7(4-8(15-16)10(11,12)13)6-2-3-9(17)14-5-6;1-2/h2-5H,1H3,(H,14,17);1-2H3
InChIKeyCYRPXVFUBPLRTJ-UHFFFAOYSA-N
XLogP2.82
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one (CID 178058322) is ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one is CC.Cn1nc(C(F)(F)F)cc1-c1ccc(=O)[nH]c1.
What is the InChIKey of ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one?
The InChIKey is CYRPXVFUBPLRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O.C2H6/c1-16-7(4-8(15-16)10(11,12)13)6-2-3-9(17)14-5-6;1-2/h2-5H,1H3,(H,14,17);1-2H3.
What are the key properties of ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one?
ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one has a molecular weight of 273.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 178058322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).