N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C19H22F3N3O2S — CID 121139444

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C19H22F3N3O2S/c20-19(21,22)16-7-1-13(2-8-16)12-28(26,27)23-9-10-25-18(15-5-6-15)11-17(24-25)14-3-4-14/h1-2,7-8,11,14-15,23H,3-6,9-10,12H2
InChIKeyUNQQLRRXOXDYPG-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.78
Rot. Bonds8

About N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 121139444) has the molecular formula C19H22F3N3O2S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID121139444
Molecular FormulaC19H22F3N3O2S
Molecular Weight413.47 g/mol
Exact Mass413.14
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C19H22F3N3O2S/c20-19(21,22)16-7-1-13(2-8-16)12-28(26,27)23-9-10-25-18(15-5-6-15)11-17(24-25)14-3-4-14/h1-2,7-8,11,14-15,23H,3-6,9-10,12H2
InChIKeyUNQQLRRXOXDYPG-UHFFFAOYSA-N
XLogP3.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide
CID 72718788
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139439
N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 86266238
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 121139409
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121139270
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 121139660
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90588192
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121139415
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122161703
methyl 4-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]benzoate
CID 121139441
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 121139344
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139744

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 121139444) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1nc(C2CC2)cc1C1CC1.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is UNQQLRRXOXDYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2S/c20-19(21,22)16-7-1-13(2-8-16)12-28(26,27)23-9-10-25-18(15-5-6-15)11-17(24-25)14-3-4-14/h1-2,7-8,11,14-15,23H,3-6,9-10,12H2.
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 413.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 121139444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).