N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide

C112H125Cl7F16N28O6S9 — CID 157422302

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide (PubChem CID 157422302) has the molecular formula C112H125Cl7F16N28O6S9 and a molecular weight of 2800.16 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide
• PubChem CID: 157422302
• Molecular Formula: C112H125Cl7F16N28O6S9
• Molecular Weight: 2800.16 g/mol
• Exact Mass: 2794.54
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide
• SMILES: CC(C)CN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCC1CC(F)(F)C1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=S)CCSC(F)(F)C=C(F)F)c1cn(-c2cccnc2)nc1Cl.CS(=O)CCC(=O)Nc1cn(-c2cccnc2)nc1Cl.CSCCC(=S)Nc1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCCCF)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C18H21ClF4N4OS.C18H20ClF3N4OS.C18H22ClF3N4OS.C18H21ClF2N4OS.C16H15ClF4N4S2.C12H13ClN4O2S.C12H13ClN4S2/c19-17-15(13-27(25-17)14-4-3-8-24-12-14)26(9-2-1-7-20)16(28)5-10-29-11-6-18(21,22)23;19-17-15(12-26(24-17)14-2-1-7-23-10-14)25(11-13-3-4-13)16(27)5-8-28-9-6-18(20,21)22;1-13(2)11-25(16(27)5-8-28-9-6-18(20,21)22)15-12-26(24-17(15)19)14-4-3-7-23-10-14;1-2-24(16(26)5-7-27-12-13-8-18(20,21)9-13)15-11-25(23-17(15)19)14-4-3-6-22-10-14;1-2-24(14(26)5-7-27-16(20,21)8-13(18)19)12-10-25(23-15(12)17)11-4-3-6-22-9-11;1-20(19)6-4-11(18)15-10-8-17(16-12(10)13)9-3-2-5-14-7-9;1-19-6-4-11(18)15-10-8-17(16-12(10)13)9-3-2-5-14-7-9/h3-4,8,12-13H,1-2,5-7,9-11H2;1-2,7,10,12-13H,3-6,8-9,11H2;3-4,7,10,12-13H,5-6,8-9,11H2,1-2H3;3-4,6,10-11,13H,2,5,7-9,12H2,1H3;3-4,6,8-10H,2,5,7H2,1H3;2-3,5,7-8H,4,6H2,1H3,(H,15,18);2-3,5,7-8H,4,6H2,1H3,(H,15,18)
• InChIKey: BPOAPDVRDIRDND-UHFFFAOYSA-N
• XLogP: 29.86
• TPSA: 357.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 55
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.16
LogP ≤ 5	29.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

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-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide (CID 157422302) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide is CC(C)CN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCC1CC(F)(F)C1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=S)CCSC(F)(F)C=C(F)F)c1cn(-c2cccnc2)nc1Cl.CS(=O)CCC(=O)Nc1cn(-c2cccnc2)nc1Cl.CSCCC(=S)Nc1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCCCF)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide?

The InChIKey is BPOAPDVRDIRDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF4N4OS.C18H20ClF3N4OS.C18H22ClF3N4OS.C18H21ClF2N4OS.C16H15ClF4N4S2.C12H13ClN4O2S.C12H13ClN4S2/c19-17-15(13-27(25-17)14-4-3-8-24-12-14)26(9-2-1-7-20)16(28)5-10-29-11-6-18(21,22)23;19-17-15(12-26(24-17)14-2-1-7-23-10-14)25(11-13-3-4-13)16(27)5-8-28-9-6-18(20,21)22;1-13(2)11-25(16(27)5-8-28-9-6-18(20,21)22)15-12-26(24-17(15)19)14-4-3-7-23-10-14;1-2-24(16(26)5-7-27-12-13-8-18(20,21)9-13)15-11-25(23-17(15)19)14-4-3-6-22-10-14;1-2-24(14(26)5-7-27-16(20,21)8-13(18)19)12-10-25(23-15(12)17)11-4-3-6-22-9-11;1-20(19)6-4-11(18)15-10-8-17(16-12(10)13)9-3-2-5-14-7-9;1-19-6-4-11(18)15-10-8-17(16-12(10)13)9-3-2-5-14-7-9/h3-4,8,12-13H,1-2,5-7,9-11H2;1-2,7,10,12-13H,3-6,8-9,11H2;3-4,7,10,12-13H,5-6,8-9,11H2,1-2H3;3-4,6,10-11,13H,2,5,7-9,12H2,1H3;3-4,6,8-10H,2,5,7H2,1H3;2-3,5,7-8H,4,6H2,1H3,(H,15,18);2-3,5,7-8H,4,6H2,1H3,(H,15,18).

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide has a molecular weight of 2800.16 g/mol, XLogP of 29.86, 55 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(3,3-difluorocyclobutyl)methylsulfanyl]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1,1,3,3-tetrafluoroprop-2-enylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfinylpropanamide is sourced from PubChem (CID 157422302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).