1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole

C9H13F3N2O2S — CID 106731647

IUPAC1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole
SMILESCCCS(=O)(=O)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O2S/c1-2-6-17(15,16)7-5-14-4-3-8(13-14)9(10,11)12/h3-4H,2,5-7H2,1H3
InChIKeyBJSRRWLZYGXAOC-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.73
Rot. Bonds5

About 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole

1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 106731647) has the molecular formula C9H13F3N2O2S and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole
PubChem CID106731647
Molecular FormulaC9H13F3N2O2S
Molecular Weight270.28 g/mol
Exact Mass270.06
IUPAC Name1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole
SMILESCCCS(=O)(=O)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O2S/c1-2-6-17(15,16)7-5-14-4-3-8(13-14)9(10,11)12/h3-4H,2,5-7H2,1H3
InChIKeyBJSRRWLZYGXAOC-UHFFFAOYSA-N
XLogP1.73
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-Methyl-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 21334360
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
2-[[3-(Trifluoromethyl)pyrazol-1-yl]methylsulfonyl]acetonitrile
CID 67225702

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole (CID 106731647) is 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole is CCCS(=O)(=O)CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is BJSRRWLZYGXAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2S/c1-2-6-17(15,16)7-5-14-4-3-8(13-14)9(10,11)12/h3-4H,2,5-7H2,1H3.
What are the key properties of 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 270.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfonylethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 106731647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).