N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate

C96H102Cl5F18N25O8S7 — CID 157378794

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate (PubChem CID 157378794) has the molecular formula C96H102Cl5F18N25O8S7 and a molecular weight of 2477.74 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate
• PubChem CID: 157378794
• Molecular Formula: C96H102Cl5F18N25O8S7
• Molecular Weight: 2477.74 g/mol
• Exact Mass: 2473.45
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate
• SMILES: CCN(C(=O)CCCSCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSc1cccc(C(F)(F)F)c1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCSCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)OCCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)OCCSCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=S)CCS(=O)CCC(F)(F)F)c1cnn(-c2cccnc2)c1
• InChI: InChI=1S/C20H18ClF3N4OS.C16H18ClF3N4OS.C16H19F3N4OS2.C15H17ClF3N5OS.C15H16ClF3N4O2S.C14H14ClF3N4O2S/c1-2-27(17-13-28(26-19(17)21)15-6-4-9-25-12-15)18(29)8-10-30-16-7-3-5-14(11-16)20(22,23)24;1-2-23(14(25)6-4-8-26-11-16(18,19)20)13-10-24(22-15(13)17)12-5-3-7-21-9-12;1-2-22(15(25)5-8-26(24)9-6-16(17,18)19)14-11-21-23(12-14)13-4-3-7-20-10-13;1-2-23(14(25)21-6-7-26-10-15(17,18)19)12-9-24(22-13(12)16)11-4-3-5-20-8-11;1-2-22(14(24)25-6-7-26-10-15(17,18)19)12-9-23(21-13(12)16)11-4-3-5-20-8-11;1-2-21(13(23)24-6-7-25-14(16,17)18)11-9-22(20-12(11)15)10-4-3-5-19-8-10/h3-7,9,11-13H,2,8,10H2,1H3;3,5,7,9-10H,2,4,6,8,11H2,1H3;3-4,7,10-12H,2,5-6,8-9H2,1H3;3-5,8-9H,2,6-7,10H2,1H3,(H,21,25);3-5,8-9H,2,6-7,10H2,1H3;3-5,8-9H,2,6-7H2,1H3
• InChIKey: BKQCOZADJDAIQG-UHFFFAOYSA-N
• XLogP: 25.40
• TPSA: 336.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 43
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2477.74
LogP ≤ 5	25.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate (CID 157378794) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate is CCN(C(=O)CCCSCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSc1cccc(C(F)(F)F)c1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCSCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)OCCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)OCCSCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=S)CCS(=O)CCC(F)(F)F)c1cnn(-c2cccnc2)c1.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate?

The InChIKey is BKQCOZADJDAIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4OS.C16H18ClF3N4OS.C16H19F3N4OS2.C15H17ClF3N5OS.C15H16ClF3N4O2S.C14H14ClF3N4O2S/c1-2-27(17-13-28(26-19(17)21)15-6-4-9-25-12-15)18(29)8-10-30-16-7-3-5-14(11-16)20(22,23)24;1-2-23(14(25)6-4-8-26-11-16(18,19)20)13-10-24(22-15(13)17)12-5-3-7-21-9-12;1-2-22(15(25)5-8-26(24)9-6-16(17,18)19)14-11-21-23(12-14)13-4-3-7-20-10-13;1-2-23(14(25)21-6-7-26-10-15(17,18)19)12-9-24(22-13(12)16)11-4-3-5-20-8-11;1-2-22(14(24)25-6-7-26-10-15(17,18)19)12-9-23(21-13(12)16)11-4-3-5-20-8-11;1-2-21(13(23)24-6-7-25-14(16,17)18)11-9-22(20-12(11)15)10-4-3-5-19-8-10/h3-7,9,11-13H,2,8,10H2,1H3;3,5,7,9-10H,2,4,6,8,11H2,1H3;3-4,7,10-12H,2,5-6,8-9H2,1H3;3-5,8-9H,2,6-7,10H2,1H3,(H,21,25);3-5,8-9H,2,6-7,10H2,1H3;3-5,8-9H,2,6-7H2,1H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate has a molecular weight of 2477.74 g/mol, XLogP of 25.40, 43 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethylsulfanyl)butanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide;N-ethyl-N-(1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanethioamide;2-(2,2,2-trifluoroethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate;2-(trifluoromethylsulfanyl)ethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate is sourced from PubChem (CID 157378794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).