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

C10H11F3N4O2 — CID 19582630

IUPAC1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone
SMILESCC1=NN(C(=O)Cn2cccn2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C10H11F3N4O2/c1-7-5-9(19,10(11,12)13)17(15-7)8(18)6-16-4-2-3-14-16/h2-4,19H,5-6H2,1H3
InChIKeyKIHODZIQPKNGPJ-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.74
Rot. Bonds2

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

1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 19582630) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone
PubChem CID19582630
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone
SMILESCC1=NN(C(=O)Cn2cccn2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C10H11F3N4O2/c1-7-5-9(19,10(11,12)13)17(15-7)8(18)6-16-4-2-3-14-16/h2-4,19H,5-6H2,1H3
InChIKeyKIHODZIQPKNGPJ-UHFFFAOYSA-N
XLogP0.74
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.74
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-pyrazol-1-ylethanone?
The IUPAC name of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone (CID 19582630) is 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone is CC1=NN(C(=O)Cn2cccn2)C(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is KIHODZIQPKNGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-7-5-9(19,10(11,12)13)17(15-7)8(18)6-16-4-2-3-14-16/h2-4,19H,5-6H2,1H3.
What are the key properties of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone?
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 276.22 g/mol, XLogP of 0.74, 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-pyrazol-1-ylethanone is sourced from PubChem (CID 19582630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).