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

C10H9F3N2O2S — CID 2988100

IUPAC[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
SMILESCC1=NN(C(=O)c2cccs2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N2O2S/c1-6-5-9(17,10(11,12)13)15(14-6)8(16)7-3-2-4-18-7/h2-4,17H,5H2,1H3
InChIKeyRIYLJXSHSHAIAI-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.22
Rot. Bonds1

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

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 2988100) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.25 g/mol. Its IUPAC name is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
PubChem CID2988100
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.25 g/mol
Exact Mass278.03
IUPAC Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
SMILESCC1=NN(C(=O)c2cccs2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N2O2S/c1-6-5-9(17,10(11,12)13)15(14-6)8(16)7-3-2-4-18-7/h2-4,17H,5H2,1H3
InChIKeyRIYLJXSHSHAIAI-UHFFFAOYSA-N
XLogP2.22
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dimethylthiophen-3-yl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4368064
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl][5-(propan-2-yl)thiophen-3-yl]methanone
CID 5063119
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
CID 5070161
[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](5-methylthiophen-3-yl)methanone
CID 4191427
[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl][5-(propan-2-yl)thiophen-3-yl]methanone
CID 3576402
3-cyclopropyl-1-(2-thienylcarbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2986826
3-ethyl-1-(2-thienylcarbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2991300
2-(2-thienylcarbonyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol
CID 2992102
[3-cyclopropyl-5-(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](5-ethylthiophen-3-yl)methanone
CID 4247136
[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl](5-methylthiophen-3-yl)methanone
CID 4258160
3-Phenyl-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL
CID 2990794
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](5-ethylthiophen-3-yl)methanone
CID 3613511

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone (CID 2988100) is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone is CC1=NN(C(=O)c2cccs2)C(O)(C(F)(F)F)C1.
What is the InChIKey of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is RIYLJXSHSHAIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c1-6-5-9(17,10(11,12)13)15(14-6)8(16)7-3-2-4-18-7/h2-4,17H,5H2,1H3.
What are the key properties of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone?
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 278.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2988100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).