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

C11H13F3N4O2 — CID 17020394

IUPAC1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCC1=NN(C(=O)Cn2cc(C)cn2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O2/c1-7-4-15-17(5-7)6-9(19)18-10(20,11(12,13)14)3-8(2)16-18/h4-5,20H,3,6H2,1-2H3
InChIKeyBVMZBYKPVWDZCZ-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.05
Rot. Bonds2

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

1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 17020394) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID17020394
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCC1=NN(C(=O)Cn2cc(C)cn2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O2/c1-7-4-15-17(5-7)6-9(19)18-10(20,11(12,13)14)3-8(2)16-18/h4-5,20H,3,6H2,1-2H3
InChIKeyBVMZBYKPVWDZCZ-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 ≤ 500290.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 19575281
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1H-pyrazol-1-yl)ethanone
CID 19582630
[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](1-methyl-1H-pyrazol-4-yl)methanone
CID 19583899
2-(4-bromo-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 19585193
[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 40646463
3-methyl-1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4765801
1-(3,3-Difluoropyrrolidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 117883326
1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 1231852
1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 1231853
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)propan-1-one
CID 4767861
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4768200
1-[3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4774901

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 17020394) is 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is CC1=NN(C(=O)Cn2cc(C)cn2)C(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is BVMZBYKPVWDZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-7-4-15-17(5-7)6-9(19)18-10(20,11(12,13)14)3-8(2)16-18/h4-5,20H,3,6H2,1-2H3.
What are the key properties of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 290.25 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-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 17020394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).