1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole

C10H15F3N2O2S — CID 103849683

IUPAC1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole
SMILESCC(C)(C)S(=O)(=O)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O2S/c1-9(2,3)18(16,17)7-6-15-5-4-8(14-15)10(11,12)13/h4-5H,6-7H2,1-3H3
InChIKeyHHZUMEJPCLUEKE-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole

1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 103849683) has the molecular formula C10H15F3N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole
PubChem CID103849683
Molecular FormulaC10H15F3N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC Name1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole
SMILESCC(C)(C)S(=O)(=O)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O2S/c1-9(2,3)18(16,17)7-6-15-5-4-8(14-15)10(11,12)13/h4-5H,6-7H2,1-3H3
InChIKeyHHZUMEJPCLUEKE-UHFFFAOYSA-N
XLogP2.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole 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

(1-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 82869913
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 71808055
N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}cyclohexanesulfonamide
CID 71808061
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)methanesulfonyl chloride
CID 131606659
(1-methyl-1H-pyrazol-3-yl)methanesulfonyl fluoride
CID 155937575
1-[[1-(Methylsulfonylmethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrazole
CID 132375770
3-[(3-Ethylsulfonylazetidin-1-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 138032883
3-[[(3S)-oxolan-3-yl]sulfonylmethyl]-1-propan-2-ylpyrazole
CID 164633327
1-Isobutyl-3-trifluoromethyl-1H-pyrazole
CID 58981713
1-(2,2-Dimethylpropyl)-3-(trifluoromethyl)pyrazole
CID 59026320
5,5-dimethyl-3-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]methylsulfonyl]-4H-1,2-oxazole
CID 59739588
1-Butyl-3-(trifluoromethyl)pyrazole
CID 66014938

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole (CID 103849683) is 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole is CC(C)(C)S(=O)(=O)CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is HHZUMEJPCLUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S/c1-9(2,3)18(16,17)7-6-15-5-4-8(14-15)10(11,12)13/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 284.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 103849683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).