N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate

C101H114Cl6F16N24O10S6 — CID 161284791

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate (PubChem CID 161284791) has the molecular formula C101H114Cl6F16N24O10S6 and a molecular weight of 2533.27 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate
• PubChem CID: 161284791
• Molecular Formula: C101H114Cl6F16N24O10S6
• Molecular Weight: 2533.27 g/mol
• Exact Mass: 2528.53
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate
• SMILES: CC(=O)OCCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSC(C)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSC1CCC(F)(F)C1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCS(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CC1CO1)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C18H20ClF3N4O3S.C18H21ClF2N4OS.C17H18ClF3N4O2S.C17H20ClF3N4OS.C16H19ClF2N4OS.C15H16ClF3N4O2S/c1-13(27)29-8-7-25(16(28)4-9-30-10-5-18(20,21)22)15-12-26(24-17(15)19)14-3-2-6-23-11-14;1-2-24(16(26)6-9-27-14-5-7-18(20,21)10-14)15-12-25(23-17(15)19)13-4-3-8-22-11-13;18-16-14(10-25(23-16)12-2-1-5-22-8-12)24(9-13-11-27-13)15(26)3-6-28-7-4-17(19,20)21;1-3-24(15(26)6-8-27-12(2)9-17(19,20)21)14-11-25(23-16(14)18)13-5-4-7-22-10-13;1-2-22(15(24)6-9-25-8-5-14(18)19)13-11-23(21-16(13)17)12-4-3-7-20-10-12;1-22(13(24)4-7-26(25)8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11/h2-3,6,11-12H,4-5,7-10H2,1H3;3-4,8,11-12,14H,2,5-7,9-10H2,1H3;1-2,5,8,10,13H,3-4,6-7,9,11H2;4-5,7,10-12H,3,6,8-9H2,1-2H3;3-4,7,10-11,14H,2,5-6,8-9H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3
• InChIKey: VFOLNQFILJWCPM-UHFFFAOYSA-N
• XLogP: 23.97
• TPSA: 362.02 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 50
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.27
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate (CID 161284791) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate is CC(=O)OCCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSC(C)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSC1CCC(F)(F)C1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCS(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CC1CO1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate?

The InChIKey is VFOLNQFILJWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O3S.C18H21ClF2N4OS.C17H18ClF3N4O2S.C17H20ClF3N4OS.C16H19ClF2N4OS.C15H16ClF3N4O2S/c1-13(27)29-8-7-25(16(28)4-9-30-10-5-18(20,21)22)15-12-26(24-17(15)19)14-3-2-6-23-11-14;1-2-24(16(26)6-9-27-14-5-7-18(20,21)10-14)15-12-25(23-17(15)19)13-4-3-8-22-11-13;18-16-14(10-25(23-16)12-2-1-5-22-8-12)24(9-13-11-27-13)15(26)3-6-28-7-4-17(19,20)21;1-3-24(15(26)6-8-27-12(2)9-17(19,20)21)14-11-25(23-16(14)18)13-5-4-7-22-10-13;1-2-22(15(24)6-9-25-8-5-14(18)19)13-11-23(21-16(13)17)12-4-3-7-20-10-12;1-22(13(24)4-7-26(25)8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11/h2-3,6,11-12H,4-5,7-10H2,1H3;3-4,8,11-12,14H,2,5-7,9-10H2,1H3;1-2,5,8,10,13H,3-4,6-7,9,11H2;4-5,7,10-12H,3,6,8-9H2,1-2H3;3-4,7,10-11,14H,2,5-6,8-9H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate has a molecular weight of 2533.27 g/mol, XLogP of 23.97, 50 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorocyclopentyl)sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoropropylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[3-(3,3,3-trifluoropropylsulfanyl)propanoyl]amino]ethyl acetate is sourced from PubChem (CID 161284791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).