N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide

C9H12F3N3O2S — CID 71808057

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)8-3-5-15(14-8)6-4-13-18(16,17)7-1-2-7/h3,5,7,13H,1-2,4,6H2
InChIKeyJASOLDYOYCSVGZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.98
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide (PubChem CID 71808057) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide
PubChem CID71808057
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)8-3-5-15(14-8)6-4-13-18(16,17)7-1-2-7/h3,5,7,13H,1-2,4,6H2
InChIKeyJASOLDYOYCSVGZ-UHFFFAOYSA-N
XLogP0.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide (CID 71808057) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide is O=S(=O)(NCCn1ccc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is JASOLDYOYCSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c10-9(11,12)8-3-5-15(14-8)6-4-13-18(16,17)7-1-2-7/h3,5,7,13H,1-2,4,6H2.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 283.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 71808057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).