3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide

C101H121Cl6F13N26O9S7 — CID 158453369

About 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide

3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide (PubChem CID 158453369) has the molecular formula C101H121Cl6F13N26O9S7 and a molecular weight of 2527.41 g/mol. Its IUPAC name is 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide.

Molecular Properties

• Compound Name: 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide
• PubChem CID: 158453369
• Molecular Formula: C101H121Cl6F13N26O9S7
• Molecular Weight: 2527.41 g/mol
• Exact Mass: 2522.58
• IUPAC Name: 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide
• SMILES: CCCCSCCC(=O)N(CC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCN(C)S(=O)(=O)CC1CC1)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCS(=O)(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=S)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCF)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCN1CCCC1)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C20H25ClF3N5OS.C18H24ClN5O3S.C17H23ClN4OS.C16H17ClF4N4OS.C15H16ClF3N4O3S.C15H16ClF3N4S2/c21-19-17(15-29(26-19)16-4-3-7-25-14-16)28(11-10-27-8-1-2-9-27)18(30)5-12-31-13-6-20(22,23)24;1-3-23(16-12-24(21-18(16)19)15-5-4-9-20-11-15)17(25)8-10-22(2)28(26,27)13-14-6-7-14;1-3-5-10-24-11-8-16(23)21(4-2)15-13-22(20-17(15)18)14-7-6-9-19-12-14;17-15-13(11-25(23-15)12-2-1-6-22-10-12)24(7-5-18)14(26)3-8-27-9-4-16(19,20)21;1-22(13(24)4-7-27(25,26)8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11;1-22(13(24)4-7-25-8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11/h3-4,7,14-15H,1-2,5-6,8-13H2;4-5,9,11-12,14H,3,6-8,10,13H2,1-2H3;6-7,9,12-13H,3-5,8,10-11H2,1-2H3;1-2,6,10-11H,3-5,7-9H2;2-3,6,9-10H,4-5,7-8H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3
• InChIKey: HEGSMOUUNLAYDN-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 363.81 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 51
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2527.41
LogP ≤ 5	22.66
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The IUPAC name of 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide (CID 158453369) is 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide.

What is the SMILES notation for 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The canonical SMILES for 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide is CCCCSCCC(=O)N(CC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCN(C)S(=O)(=O)CC1CC1)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCS(=O)(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=S)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCF)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCN1CCCC1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The InChIKey is HEGSMOUUNLAYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF3N5OS.C18H24ClN5O3S.C17H23ClN4OS.C16H17ClF4N4OS.C15H16ClF3N4O3S.C15H16ClF3N4S2/c21-19-17(15-29(26-19)16-4-3-7-25-14-16)28(11-10-27-8-1-2-9-27)18(30)5-12-31-13-6-20(22,23)24;1-3-23(16-12-24(21-18(16)19)15-5-4-9-20-11-15)17(25)8-10-22(2)28(26,27)13-14-6-7-14;1-3-5-10-24-11-8-16(23)21(4-2)15-13-22(20-17(15)18)14-7-6-9-19-12-14;17-15-13(11-25(23-15)12-2-1-6-22-10-12)24(7-5-18)14(26)3-8-27-9-4-16(19,20)21;1-22(13(24)4-7-27(25,26)8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11;1-22(13(24)4-7-25-8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11/h3-4,7,14-15H,1-2,5-6,8-13H2;4-5,9,11-12,14H,3,6-8,10,13H2,1-2H3;6-7,9,12-13H,3-5,8,10-11H2,1-2H3;1-2,6,10-11H,3-5,7-9H2;2-3,6,9-10H,4-5,7-8H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3.

What are the key properties of 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide has a molecular weight of 2527.41 g/mol, XLogP of 22.66, 51 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butylsulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoroethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide is sourced from PubChem (CID 158453369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).