3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole

C11H13F3N2O2S — CID 141171468

IUPAC3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole
SMILESO=S(=O)(Cn1nc(C2CC2)cc1C1CC1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)19(17,18)6-16-10(8-3-4-8)5-9(15-16)7-1-2-7/h5,7-8H,1-4,6H2
InChIKeyGNNTVHVZVIOEFQ-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.53
Rot. Bonds4

About 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole

3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole (PubChem CID 141171468) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole.

Molecular Properties

Compound Name3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole
PubChem CID141171468
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole
SMILESO=S(=O)(Cn1nc(C2CC2)cc1C1CC1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)19(17,18)6-16-10(8-3-4-8)5-9(15-16)7-1-2-7/h5,7-8H,1-4,6H2
InChIKeyGNNTVHVZVIOEFQ-UHFFFAOYSA-N
XLogP2.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole?
The IUPAC name of 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole (CID 141171468) is 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole.
What is the SMILES notation for 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole?
The canonical SMILES for 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole is O=S(=O)(Cn1nc(C2CC2)cc1C1CC1)C(F)(F)F.
What is the InChIKey of 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole?
The InChIKey is GNNTVHVZVIOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)19(17,18)6-16-10(8-3-4-8)5-9(15-16)7-1-2-7/h5,7-8H,1-4,6H2.
What are the key properties of 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole?
3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole has a molecular weight of 294.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyl-1-(trifluoromethylsulfonylmethyl)pyrazole is sourced from PubChem (CID 141171468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).