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

C19H20F3N3O2S2 — CID 122161703

IUPACN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccsc1
InChIInChI=1S/C19H20F3N3O2S2/c1-13-18(16-7-10-28-11-16)14(2)25(24-13)9-8-23-29(26,27)12-15-3-5-17(6-4-15)19(20,21)22/h3-7,10-11,23H,8-9,12H2,1-2H3
InChIKeyZNTKOQYXDKEDSP-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.37
Rot. Bonds7

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

N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 122161703) has the molecular formula C19H20F3N3O2S2 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID122161703
Molecular FormulaC19H20F3N3O2S2
Molecular Weight443.52 g/mol
Exact Mass443.09
IUPAC NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccsc1
InChIInChI=1S/C19H20F3N3O2S2/c1-13-18(16-7-10-28-11-16)14(2)25(24-13)9-8-23-29(26,27)12-15-3-5-17(6-4-15)19(20,21)22/h3-7,10-11,23H,8-9,12H2,1-2H3
InChIKeyZNTKOQYXDKEDSP-UHFFFAOYSA-N
XLogP4.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
CID 122161697
N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 86266238
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90588192
2-benzylsulfanyl-N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
CID 122161668
N-(3-hydroxy-3-thiophen-3-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121132253
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121139444
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122161661
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 122161610
N-[(1,3-dimethyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 25217128
N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 167065322
N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71798515

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 122161703) is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccsc1.
What is the InChIKey of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is ZNTKOQYXDKEDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S2/c1-13-18(16-7-10-28-11-16)14(2)25(24-13)9-8-23-29(26,27)12-15-3-5-17(6-4-15)19(20,21)22/h3-7,10-11,23H,8-9,12H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 443.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 122161703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).