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

C13H15F3N2O2S — CID 5063119

IUPAC[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC1=NN(C(=O)c2csc(C(C)C)c2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2S/c1-7(2)10-4-9(6-21-10)11(19)18-12(20,13(14,15)16)5-8(3)17-18/h4,6-7,20H,5H2,1-3H3
InChIKeyMAEHOQZRTQHSGN-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.34
Rot. Bonds2

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

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone (PubChem CID 5063119) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
PubChem CID5063119
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC1=NN(C(=O)c2csc(C(C)C)c2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2S/c1-7(2)10-4-9(6-21-10)11(19)18-12(20,13(14,15)16)5-8(3)17-18/h4,6-7,20H,5H2,1-3H3
InChIKeyMAEHOQZRTQHSGN-UHFFFAOYSA-N
XLogP3.34
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-4H-pyrazol-1-yl]-(5-methylthiophen-3-yl)methanone
CID 5070161
[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-propan-2-ylthiophen-3-yl)methanone?
The IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone (CID 5063119) is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone.
What is the SMILES notation for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The canonical SMILES for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone is CC1=NN(C(=O)c2csc(C(C)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-propan-2-ylthiophen-3-yl)methanone?
The InChIKey is MAEHOQZRTQHSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-7(2)10-4-9(6-21-10)11(19)18-12(20,13(14,15)16)5-8(3)17-18/h4,6-7,20H,5H2,1-3H3.
What are the key properties of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone has a molecular weight of 320.34 g/mol, XLogP of 3.34, 2 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-propan-2-ylthiophen-3-yl)methanone is sourced from PubChem (CID 5063119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).