1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

C10H15F3N2O2S — CID 130210325

IUPAC1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1CCS(C)(=O)=O
InChIInChI=1S/C10H15F3N2O2S/c1-7(2)8-6-9(10(11,12)13)14-15(8)4-5-18(3,16)17/h6-7H,4-5H2,1-3H3
InChIKeyGBWVEVKRGFBYFB-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.07
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 130210325) has the molecular formula C10H15F3N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID130210325
Molecular FormulaC10H15F3N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC Name1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1CCS(C)(=O)=O
InChIInChI=1S/C10H15F3N2O2S/c1-7(2)8-6-9(10(11,12)13)14-15(8)4-5-18(3,16)17/h6-7H,4-5H2,1-3H3
InChIKeyGBWVEVKRGFBYFB-UHFFFAOYSA-N
XLogP2.07
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole
CID 170239142
1-methyl-5-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 59356398
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
CID 63810790
(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butane-1-sulfonamide
CID 22207672
5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole
CID 121210625
5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 118464187
1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
CID 121210709
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
CID 66015518
1-(chloromethyl)-5-ethyl-3-(trifluoromethyl)pyrazole
CID 121211706
(4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 168761782

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 130210325) is 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)nn1CCS(C)(=O)=O.
What is the InChIKey of 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is GBWVEVKRGFBYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S/c1-7(2)8-6-9(10(11,12)13)14-15(8)4-5-18(3,16)17/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 284.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 130210325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).