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

C7H10F3N3O2S — CID 71808055

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O2S/c1-16(14,15)11-3-5-13-4-2-6(12-13)7(8,9)10/h2,4,11H,3,5H2,1H3
InChIKeyKYZKPAAQFBEASV-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.45
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide (PubChem CID 71808055) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
PubChem CID71808055
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O2S/c1-16(14,15)11-3-5-13-4-2-6(12-13)7(8,9)10/h2,4,11H,3,5H2,1H3
InChIKeyKYZKPAAQFBEASV-UHFFFAOYSA-N
XLogP0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.45
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]methanesulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide (CID 71808055) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is KYZKPAAQFBEASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-16(14,15)11-3-5-13-4-2-6(12-13)7(8,9)10/h2,4,11H,3,5H2,1H3.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 257.24 g/mol, XLogP of 0.45, 4 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]methanesulfonamide is sourced from PubChem (CID 71808055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).