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

C11H11F3N2O2S — CID 5070161

IUPAC[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCC1=NN(C(=O)c2csc(C)c2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O2S/c1-6-4-10(18,11(12,13)14)16(15-6)9(17)8-3-7(2)19-5-8/h3,5,18H,4H2,1-2H3
InChIKeyJNHAKFROIIHHHS-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.53
Rot. Bonds1

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

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 5070161) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID5070161
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCC1=NN(C(=O)c2csc(C)c2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O2S/c1-6-4-10(18,11(12,13)14)16(15-6)9(17)8-3-7(2)19-5-8/h3,5,18H,4H2,1-2H3
InChIKeyJNHAKFROIIHHHS-UHFFFAOYSA-N
XLogP2.53
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.53
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]-thiophen-2-ylmethanone
CID 2988100
[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
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 4123761
[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
1-benzothiophen-3-yl[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 5062557

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone (CID 5070161) is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone is CC1=NN(C(=O)c2csc(C)c2)C(O)(C(F)(F)F)C1.
What is the InChIKey of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is JNHAKFROIIHHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-6-4-10(18,11(12,13)14)16(15-6)9(17)8-3-7(2)19-5-8/h3,5,18H,4H2,1-2H3.
What are the key properties of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone?
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 292.28 g/mol, XLogP of 2.53, 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]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 5070161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).