N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide

C121H128Cl8F24N38O12S8 — CID 159758662

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
SMILESCC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)(=O)CCC(F)(F)F.CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)CCC(F)(F)F.CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)CCCC(F)(F)F.CCN(C(=O)CCSc1ccnc(C(F)(F)F)n1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCC(C)SC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H16ClF3N6OS.C16H18ClF3N4O2S.2C15H17ClF3N5OS.C15H16ClF3N4O3S.C15H16ClF3N4O2S.C14H15ClF3N5OS.C13H13ClF3N5OS/c1-2-27(13-11-28(26-16(13)19)12-4-3-7-23-10-12)15(29)6-9-30-14-5-8-24-17(25-14)18(20,21)22;1-11(27(26)8-4-6-16(18,19)20)15(25)23(2)13-10-24(22-14(13)17)12-5-3-7-21-9-12;1-3-23(14(25)21-7-10(2)26-15(17,18)19)12-9-24(22-13(12)16)11-5-4-6-20-8-11;1-2-23(14(25)21-10-26-7-5-15(17,18)19)12-9-24(22-13(12)16)11-4-3-6-20-8-11;1-10(27(25,26)7-5-15(17,18)19)14(24)22(2)12-9-23(21-13(12)16)11-4-3-6-20-8-11;1-10(26(25)7-5-15(17,18)19)14(24)22(2)12-9-23(21-13(12)16)11-4-3-6-20-8-11;1-2-22(13(24)20-6-7-25-14(16,17)18)11-9-23(21-12(11)15)10-4-3-5-19-8-10;1-2-21(12(23)19-8-24-13(15,16)17)10-7-22(20-11(10)14)9-4-3-5-18-6-9/h3-5,7-8,10-11H,2,6,9H2,1H3;3,5,7,9-11H,4,6,8H2,1-2H3;4-6,8-10H,3,7H2,1-2H3,(H,21,25);3-4,6,8-9H,2,5,7,10H2,1H3,(H,21,25);3-4,6,8-10H,5,7H2,1-2H3;3-4,6,8-10H,5,7H2,1-2H3;3-5,8-9H,2,6-7H2,1H3,(H,20,24);3-7H,2,8H2,1H3,(H,19,23)
InChIKeyNEPDBZJHBSBMAX-UHFFFAOYSA-N
MW3302.72 g/mol
LogP28.81
Rot. Bonds50

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide (PubChem CID 159758662) has the molecular formula C121H128Cl8F24N38O12S8 and a molecular weight of 3302.72 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
PubChem CID159758662
Molecular FormulaC121H128Cl8F24N38O12S8
Molecular Weight3302.72 g/mol
Exact Mass3296.55
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
SMILESCC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)(=O)CCC(F)(F)F.CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)CCC(F)(F)F.CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)CCCC(F)(F)F.CCN(C(=O)CCSc1ccnc(C(F)(F)F)n1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCC(C)SC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H16ClF3N6OS.C16H18ClF3N4O2S.2C15H17ClF3N5OS.C15H16ClF3N4O3S.C15H16ClF3N4O2S.C14H15ClF3N5OS.C13H13ClF3N5OS/c1-2-27(13-11-28(26-16(13)19)12-4-3-7-23-10-12)15(29)6-9-30-14-5-8-24-17(25-14)18(20,21)22;1-11(27(26)8-4-6-16(18,19)20)15(25)23(2)13-10-24(22-14(13)17)12-5-3-7-21-9-12;1-3-23(14(25)21-7-10(2)26-15(17,18)19)12-9-24(22-13(12)16)11-5-4-6-20-8-11;1-2-23(14(25)21-10-26-7-5-15(17,18)19)12-9-24(22-13(12)16)11-4-3-6-20-8-11;1-10(27(25,26)7-5-15(17,18)19)14(24)22(2)12-9-23(21-13(12)16)11-4-3-6-20-8-11;1-10(26(25)7-5-15(17,18)19)14(24)22(2)12-9-23(21-13(12)16)11-4-3-6-20-8-11;1-2-22(13(24)20-6-7-25-14(16,17)18)11-9-23(21-12(11)15)10-4-3-5-19-8-10;1-2-21(12(23)19-8-24-13(15,16)17)10-7-22(20-11(10)14)9-4-3-5-18-6-9/h3-5,7-8,10-11H,2,6,9H2,1H3;3,5,7,9-11H,4,6,8H2,1-2H3;4-6,8-10H,3,7H2,1-2H3,(H,21,25);3-4,6,8-9H,2,5,7,10H2,1H3,(H,21,25);3-4,6,8-10H,5,7H2,1-2H3;3-4,6,8-10H,5,7H2,1-2H3;3-5,8-9H,2,6-7H2,1H3,(H,20,24);3-7H,2,8H2,1H3,(H,19,23)
InChIKeyNEPDBZJHBSBMAX-UHFFFAOYSA-N
XLogP28.81
TPSA550.34 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds50
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003302.72
LogP ≤ 528.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide (CID 159758662) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide is CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)(=O)CCC(F)(F)F.CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)CCC(F)(F)F.CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(=O)CCCC(F)(F)F.CCN(C(=O)CCSc1ccnc(C(F)(F)F)n1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCC(C)SC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)NCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?
The InChIKey is NEPDBZJHBSBMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N6OS.C16H18ClF3N4O2S.2C15H17ClF3N5OS.C15H16ClF3N4O3S.C15H16ClF3N4O2S.C14H15ClF3N5OS.C13H13ClF3N5OS/c1-2-27(13-11-28(26-16(13)19)12-4-3-7-23-10-12)15(29)6-9-30-14-5-8-24-17(25-14)18(20,21)22;1-11(27(26)8-4-6-16(18,19)20)15(25)23(2)13-10-24(22-14(13)17)12-5-3-7-21-9-12;1-3-23(14(25)21-7-10(2)26-15(17,18)19)12-9-24(22-13(12)16)11-5-4-6-20-8-11;1-2-23(14(25)21-10-26-7-5-15(17,18)19)12-9-24(22-13(12)16)11-4-3-6-20-8-11;1-10(27(25,26)7-5-15(17,18)19)14(24)22(2)12-9-23(21-13(12)16)11-4-3-6-20-8-11;1-10(26(25)7-5-15(17,18)19)14(24)22(2)12-9-23(21-13(12)16)11-4-3-6-20-8-11;1-2-22(13(24)20-6-7-25-14(16,17)18)11-9-23(21-12(11)15)10-4-3-5-19-8-10;1-2-21(12(23)19-8-24-13(15,16)17)10-7-22(20-11(10)14)9-4-3-5-18-6-9/h3-5,7-8,10-11H,2,6,9H2,1H3;3,5,7,9-11H,4,6,8H2,1-2H3;4-6,8-10H,3,7H2,1-2H3,(H,21,25);3-4,6,8-9H,2,5,7,10H2,1H3,(H,21,25);3-4,6,8-10H,5,7H2,1-2H3;3-4,6,8-10H,5,7H2,1-2H3;3-5,8-9H,2,6-7H2,1H3,(H,20,24);3-7H,2,8H2,1H3,(H,19,23).
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide has a molecular weight of 3302.72 g/mol, XLogP of 28.81, 50 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(trifluoromethylsulfanylmethyl)urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-[2-(trifluoromethylsulfanyl)propyl]urea;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-1-ethyl-3-(3,3,3-trifluoropropylsulfanylmethyl)urea;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(4,4,4-trifluorobutylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide is sourced from PubChem (CID 159758662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).