1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate

C115H133Cl8F12N39O13S2 — CID 159541142

About 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate

1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate (PubChem CID 159541142) has the molecular formula C115H133Cl8F12N39O13S2 and a molecular weight of 2845.32 g/mol. Its IUPAC name is 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate.

Molecular Properties

• Compound Name: 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate
• PubChem CID: 159541142
• Molecular Formula: C115H133Cl8F12N39O13S2
• Molecular Weight: 2845.32 g/mol
• Exact Mass: 2839.77
• IUPAC Name: 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate
• SMILES: CCN(C(=O)N(C)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)C(=O)C(C)(C)C.CCN(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CCN(C(=O)NC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)SCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCOC(=O)N(CC)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C17H22ClN5O2.2C15H17ClF3N5O.C15H18ClN5O3.C14H15ClF3N5O.C14H14ClF3N4OS.C13H16ClN5O3S.C12H14ClN5O/c1-6-22(15(24)17(2,3)4)16(25)21(5)13-11-23(20-14(13)18)12-8-7-9-19-10-12;1-3-23(14(25)22(2)8-6-15(17,18)19)12-10-24(21-13(12)16)11-5-4-7-20-9-11;1-2-23(14(25)21-8-4-6-15(17,18)19)12-10-24(22-13(12)16)11-5-3-7-20-9-11;1-4-20(15(23)24-5-2)14(22)19(3)12-10-21(18-13(12)16)11-7-6-8-17-9-11;1-2-22(13(24)20-7-5-14(16,17)18)11-9-23(21-12(11)15)10-4-3-6-19-8-10;1-2-21(13(23)24-7-5-14(16,17)18)11-9-22(20-12(11)15)10-4-3-6-19-8-10;1-4-19(23(3,21)22)13(20)17(2)11-9-18(16-12(11)14)10-6-5-7-15-8-10;1-3-17(12(19)14-2)10-8-18(16-11(10)13)9-5-4-6-15-7-9/h7-11H,6H2,1-5H3;4-5,7,9-10H,3,6,8H2,1-2H3;3,5,7,9-10H,2,4,6,8H2,1H3,(H,21,25);6-10H,4-5H2,1-3H3;3-4,6,8-9H,2,5,7H2,1H3,(H,20,24);3-4,6,8-9H,2,5,7H2,1H3;5-9H,4H2,1-3H3;4-8H,3H2,1-2H3,(H,14,19)
• InChIKey: MEFNNMKSJRCBJJ-UHFFFAOYSA-N
• XLogP: 25.68
• TPSA: 534.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2845.32
LogP ≤ 5	25.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate?

The IUPAC name of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate (CID 159541142) is 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate.

What is the SMILES notation for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate?

The canonical SMILES for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate is CCN(C(=O)N(C)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)C(=O)C(C)(C)C.CCN(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CCN(C(=O)NC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)SCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCOC(=O)N(CC)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate?

The InChIKey is MEFNNMKSJRCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2.2C15H17ClF3N5O.C15H18ClN5O3.C14H15ClF3N5O.C14H14ClF3N4OS.C13H16ClN5O3S.C12H14ClN5O/c1-6-22(15(24)17(2,3)4)16(25)21(5)13-11-23(20-14(13)18)12-8-7-9-19-10-12;1-3-23(14(25)22(2)8-6-15(17,18)19)12-10-24(21-13(12)16)11-5-4-7-20-9-11;1-2-23(14(25)21-8-4-6-15(17,18)19)12-10-24(22-13(12)16)11-5-3-7-20-9-11;1-4-20(15(23)24-5-2)14(22)19(3)12-10-21(18-13(12)16)11-7-6-8-17-9-11;1-2-22(13(24)20-7-5-14(16,17)18)11-9-23(21-12(11)15)10-4-3-6-19-8-10;1-2-21(13(23)24-7-5-14(16,17)18)11-9-22(20-12(11)15)10-4-3-6-19-8-10;1-4-19(23(3,21)22)13(20)17(2)11-9-18(16-12(11)14)10-6-5-7-15-8-10;1-3-17(12(19)14-2)10-8-18(16-11(10)13)9-5-4-6-15-7-9/h7-11H,6H2,1-5H3;4-5,7,9-10H,3,6,8H2,1-2H3;3,5,7,9-10H,2,4,6,8H2,1H3,(H,21,25);6-10H,4-5H2,1-3H3;3-4,6,8-9H,2,5,7H2,1H3,(H,20,24);3-4,6,8-9H,2,5,7H2,1H3;5-9H,4H2,1-3H3;4-8H,3H2,1-2H3,(H,14,19).

What are the key properties of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate?

1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate has a molecular weight of 2845.32 g/mol, XLogP of 25.68, 35 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-ethyl-1-methyl-3-methylsulfonylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methyl-3-(3,3,3-trifluoropropyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-methylurea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(4,4,4-trifluorobutyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropyl)urea;N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethyl-2,2-dimethylpropanamide;ethyl N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylcarbamate;S-(3,3,3-trifluoropropyl) N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate is sourced from PubChem (CID 159541142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).