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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide

C77H69Cl5F10N20O5S3 — CID 161121272

About 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide

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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide (PubChem CID 161121272) has the molecular formula C77H69Cl5F10N20O5S3 and a molecular weight of 1817.98 g/mol. Its IUPAC name is 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide.

Molecular Properties

• Compound Name: 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide
• PubChem CID: 161121272
• Molecular Formula: C77H69Cl5F10N20O5S3
• Molecular Weight: 1817.98 g/mol
• Exact Mass: 1814.32
• IUPAC Name: 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide
• SMILES: C#CCN(C(=O)C(C)SC)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CC(SC)C(F)(F)F)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.C#CCN(C(=O)CSC)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C16H12ClF5N4O.C16H14ClF3N4OS.C16H15ClF2N4O.C15H15ClN4OS.C14H13ClN4OS/c1-2-8-25(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;1-3-7-23(14(25)8-13(26-2)16(18,19)20)12-10-24(22-15(12)17)11-5-4-6-21-9-11;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)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12;1-3-7-18(13(20)10-21-2)12-9-19(17-14(12)15)11-5-4-6-16-8-11/h1,3-4,7,9-10H,5-6,8H2;1,4-6,9-10,13H,7-8H2,2H3;1,4-5,8,10-11H,6-7,9H2,2H3;1,5-7,9-11H,8H2,2-3H3;1,4-6,8-9H,7,10H2,2H3
• InChIKey: UKZDZQMBBXMBHX-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 255.10 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1817.98
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'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)-4,4-difluoro-N-prop-2-ynylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide?

The IUPAC name of 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide (CID 161121272) is 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide.

What is the SMILES notation for 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide?

The canonical SMILES for 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide is C#CCN(C(=O)C(C)SC)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CC(SC)C(F)(F)F)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.C#CCN(C(=O)CSC)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide?

The InChIKey is UKZDZQMBBXMBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF5N4O.C16H14ClF3N4OS.C16H15ClF2N4O.C15H15ClN4OS.C14H13ClN4OS/c1-2-8-25(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;1-3-7-23(14(25)8-13(26-2)16(18,19)20)12-10-24(22-15(12)17)11-5-4-6-21-9-11;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)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12;1-3-7-18(13(20)10-21-2)12-9-19(17-14(12)15)11-5-4-6-16-8-11/h1,3-4,7,9-10H,5-6,8H2;1,4-6,9-10,13H,7-8H2,2H3;1,4-5,8,10-11H,6-7,9H2,2H3;1,5-7,9-11H,8H2,2-3H3;1,4-6,8-9H,7,10H2,2H3.

What are the key properties of 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide?

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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide has a molecular weight of 1817.98 g/mol, XLogP of 15.65, 28 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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)-2-methylsulfanyl-N-prop-2-ynylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-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)-4,4,4-trifluoro-3-methylsulfanyl-N-prop-2-ynylbutanamide is sourced from PubChem (CID 161121272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).