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

C11H13F3N4O2 — CID 17020486

IUPAC1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCC1=NN(C(=O)Cn2nccc2C)C(O)(C(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O2/c1-7-5-10(20,11(12,13)14)18(16-7)9(19)6-17-8(2)3-4-15-17/h3-4,20H,5-6H2,1-2H3
InChIKeyFNDJAMKVXHJUBF-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.05
Rot. Bonds2

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

1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (PubChem CID 17020486) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
PubChem CID17020486
Molecular FormulaC11H13F3N4O2
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC Name1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCC1=NN(C(=O)Cn2nccc2C)C(O)(C(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O2/c1-7-5-10(20,11(12,13)14)18(16-7)9(19)6-17-8(2)3-4-15-17/h3-4,20H,5-6H2,1-2H3
InChIKeyFNDJAMKVXHJUBF-UHFFFAOYSA-N
XLogP1.05
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (CID 17020486) is 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is CC1=NN(C(=O)Cn2nccc2C)C(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The InChIKey is FNDJAMKVXHJUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-7-5-10(20,11(12,13)14)18(16-7)9(19)6-17-8(2)3-4-15-17/h3-4,20H,5-6H2,1-2H3.
What are the key properties of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone has a molecular weight of 290.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 17020486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).