N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide

C97H99Cl6F7N24O7S4 — CID 158944852

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide (PubChem CID 158944852) has the molecular formula C97H99Cl6F7N24O7S4 and a molecular weight of 2186.99 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide
• PubChem CID: 158944852
• Molecular Formula: C97H99Cl6F7N24O7S4
• Molecular Weight: 2186.99 g/mol
• Exact Mass: 2182.50
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide
• SMILES: C#CCN(C(=O)C(C)S(C)=O)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)C(C)SC)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CC(SC)C(C)C)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CCC(C)(F)F)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CCC(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCC1CC1)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C18H21ClN4OS.C17H21ClN4OS.C16H12ClF5N4O.C16H15ClF2N4O.C15H15ClN4O2S.C15H15ClN4OS/c1-5-9-22(17(24)10-16(25-4)13(2)3)15-12-23(21-18(15)19)14-7-6-8-20-11-14;1-2-21(16(23)7-9-24-12-13-5-6-13)15-11-22(20-17(15)18)14-4-3-8-19-10-14;1-2-8-25(13(27)5-6-15(18,19)16(20,21)22)12-10-26(24-14(12)17)11-4-3-7-23-9-11;1-3-9-22(14(24)6-7-16(2,18)19)13-11-23(21-15(13)17)12-5-4-8-20-10-12;1-4-8-19(15(21)11(2)23(3)22)13-10-20(18-14(13)16)12-6-5-7-17-9-12;1-4-8-19(15(21)11(2)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12/h1,6-8,11-13,16H,9-10H2,2-4H3;3-4,8,10-11,13H,2,5-7,9,12H2,1H3;1,3-4,7,9-10H,5-6,8H2;1,4-5,8,10-11H,6-7,9H2,2H3;1,5-7,9-11H,8H2,2-3H3;1,5-7,9-11H,8H2,2-3H3
• InChIKey: JKRSOEBOJMKBGG-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 323.19 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 37
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2186.99
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide (CID 158944852) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide is C#CCN(C(=O)C(C)S(C)=O)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)C(C)SC)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CC(SC)C(C)C)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CCC(C)(F)F)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CCC(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCC1CC1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide?

The InChIKey is JKRSOEBOJMKBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4OS.C17H21ClN4OS.C16H12ClF5N4O.C16H15ClF2N4O.C15H15ClN4O2S.C15H15ClN4OS/c1-5-9-22(17(24)10-16(25-4)13(2)3)15-12-23(21-18(15)19)14-7-6-8-20-11-14;1-2-21(16(23)7-9-24-12-13-5-6-13)15-11-22(20-17(15)18)14-4-3-8-19-10-14;1-2-8-25(13(27)5-6-15(18,19)16(20,21)22)12-10-26(24-14(12)17)11-4-3-7-23-9-11;1-3-9-22(14(24)6-7-16(2,18)19)13-11-23(21-15(13)17)12-5-4-8-20-10-12;1-4-8-19(15(21)11(2)23(3)22)13-10-20(18-14(13)16)12-6-5-7-17-9-12;1-4-8-19(15(21)11(2)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12/h1,6-8,11-13,16H,9-10H2,2-4H3;3-4,8,10-11,13H,2,5-7,9,12H2,1H3;1,3-4,7,9-10H,5-6,8H2;1,4-5,8,10-11H,6-7,9H2,2H3;1,5-7,9-11H,8H2,2-3H3;1,5-7,9-11H,8H2,2-3H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide has a molecular weight of 2186.99 g/mol, XLogP of 18.95, 37 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(cyclopropylmethylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methyl-3-methylsulfanyl-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfinyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,5,5,5-pentafluoro-N-prop-2-ynylpentanamide is sourced from PubChem (CID 158944852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).