2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

C11H13F3N4O2 — CID 17023648

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2N=CCC2(O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O2/c1-7-5-8(2)17(16-7)6-9(19)18-10(20,3-4-15-18)11(12,13)14/h4-5,20H,3,6H2,1-2H3
InChIKeyCYENBFQIXVYYBV-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.97
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone (PubChem CID 17023648) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
PubChem CID17023648
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2N=CCC2(O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O2/c1-7-5-8(2)17(16-7)6-9(19)18-10(20,3-4-15-18)11(12,13)14/h4-5,20H,3,6H2,1-2H3
InChIKeyCYENBFQIXVYYBV-UHFFFAOYSA-N
XLogP0.97
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone (CID 17023648) is 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2N=CCC2(O)C(F)(F)F)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The InChIKey is CYENBFQIXVYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-7-5-8(2)17(16-7)6-9(19)18-10(20,3-4-15-18)11(12,13)14/h4-5,20H,3,6H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone has a molecular weight of 290.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone is sourced from PubChem (CID 17023648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).