[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone

C11H12F2N2O2S — CID 4258160

IUPAC[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCC1=NN(C(=O)c2csc(C)c2)C(O)(C(F)F)C1
InChIInChI=1S/C11H12F2N2O2S/c1-6-4-11(17,10(12)13)15(14-6)9(16)8-3-7(2)18-5-8/h3,5,10,17H,4H2,1-2H3
InChIKeyRPPZQWFURVAZJX-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.23
Rot. Bonds2

About [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone

[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 4258160) has the molecular formula C11H12F2N2O2S and a molecular weight of 274.29 g/mol. Its IUPAC name is [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID4258160
Molecular FormulaC11H12F2N2O2S
Molecular Weight274.29 g/mol
Exact Mass274.06
IUPAC Name[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCC1=NN(C(=O)c2csc(C)c2)C(O)(C(F)F)C1
InChIInChI=1S/C11H12F2N2O2S/c1-6-4-11(17,10(12)13)15(14-6)9(16)8-3-7(2)18-5-8/h3,5,10,17H,4H2,1-2H3
InChIKeyRPPZQWFURVAZJX-UHFFFAOYSA-N
XLogP2.23
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone (CID 4258160) is [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone is CC1=NN(C(=O)c2csc(C)c2)C(O)(C(F)F)C1.
What is the InChIKey of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is RPPZQWFURVAZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2S/c1-6-4-11(17,10(12)13)15(14-6)9(16)8-3-7(2)18-5-8/h3,5,10,17H,4H2,1-2H3.
What are the key properties of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 274.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 4258160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).