tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide

C98H103ClF8N24O8S2 — CID 160571310

About tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide

tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide (PubChem CID 160571310) has the molecular formula C98H103ClF8N24O8S2 and a molecular weight of 1996.63 g/mol. Its IUPAC name is tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide.

Molecular Properties

• Compound Name: tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide
• PubChem CID: 160571310
• Molecular Formula: C98H103ClF8N24O8S2
• Molecular Weight: 1996.63 g/mol
• Exact Mass: 1994.74
• IUPAC Name: tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide
• SMILES: C#CCN(C(=O)C(C)C)c1cn(-c2cncc(F)c2)nc1C.C#CCN(C(=O)C(C)CSC)c1cn(-c2cncc(F)c2)nc1C.C#CCN(C(=O)CCC(F)(F)F)c1cn(-c2cncc(F)c2)nc1C.C#CCN(C(=O)CCSC)c1cn(-c2cncc(F)c2)nc1C.C#CCN(C(=O)OC(C)(C)C)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)OC(C)(C)C)c1cn(-c2cncc(F)c2)nc1C
• InChI: InChI=1S/C17H19FN4O2.C17H19FN4OS.C16H17ClN4O2.C16H14F4N4O.C16H17FN4OS.C16H17FN4O/c1-6-7-21(16(23)24-17(3,4)5)15-11-22(20-12(15)2)14-8-13(18)9-19-10-14;1-5-6-21(17(23)12(2)11-24-4)16-10-22(20-13(16)3)15-7-14(18)8-19-9-15;1-5-9-20(15(22)23-16(2,3)4)13-11-21(19-14(13)17)12-7-6-8-18-10-12;1-3-6-23(15(25)4-5-16(18,19)20)14-10-24(22-11(14)2)13-7-12(17)8-21-9-13;1-4-6-20(16(22)5-7-23-3)15-11-21(19-12(15)2)14-8-13(17)9-18-10-14;1-5-6-20(16(22)11(2)3)15-10-21(19-12(15)4)14-7-13(17)8-18-9-14/h1,8-11H,7H2,2-5H3;1,7-10,12H,6,11H2,2-4H3;1,6-8,10-11H,9H2,2-4H3;1,7-10H,4-6H2,2H3;1,8-11H,5-7H2,2-3H3;1,7-11H,6H2,2-4H3
• InChIKey: RAOWYDQDVOSLLG-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 324.58 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1996.63
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide?

The IUPAC name of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide (CID 160571310) is tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide.

What is the SMILES notation for tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide?

The canonical SMILES for tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide is C#CCN(C(=O)C(C)C)c1cn(-c2cncc(F)c2)nc1C.C#CCN(C(=O)C(C)CSC)c1cn(-c2cncc(F)c2)nc1C.C#CCN(C(=O)CCC(F)(F)F)c1cn(-c2cncc(F)c2)nc1C.C#CCN(C(=O)CCSC)c1cn(-c2cncc(F)c2)nc1C.C#CCN(C(=O)OC(C)(C)C)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)OC(C)(C)C)c1cn(-c2cncc(F)c2)nc1C.

What is the InChIKey of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide?

The InChIKey is RAOWYDQDVOSLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2.C17H19FN4OS.C16H17ClN4O2.C16H14F4N4O.C16H17FN4OS.C16H17FN4O/c1-6-7-21(16(23)24-17(3,4)5)15-11-22(20-12(15)2)14-8-13(18)9-19-10-14;1-5-6-21(17(23)12(2)11-24-4)16-10-22(20-13(16)3)15-7-14(18)8-19-9-15;1-5-9-20(15(22)23-16(2,3)4)13-11-21(19-14(13)17)12-7-6-8-18-10-12;1-3-6-23(15(25)4-5-16(18,19)20)14-10-24(22-11(14)2)13-7-12(17)8-21-9-13;1-4-6-20(16(22)5-7-23-3)15-11-21(19-12(15)2)14-8-13(17)9-18-10-14;1-5-6-20(16(22)11(2)3)15-10-21(19-12(15)4)14-7-13(17)8-18-9-14/h1,8-11H,7H2,2-5H3;1,7-10,12H,6,11H2,2-4H3;1,6-8,10-11H,9H2,2-4H3;1,7-10H,4-6H2,2H3;1,8-11H,5-7H2,2-3H3;1,7-11H,6H2,2-4H3.

What are the key properties of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide?

tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide has a molecular weight of 1996.63 g/mol, XLogP of 16.86, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylcarbamate;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-N-prop-2-ynylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-methylsulfanyl-N-prop-2-ynylpropanamide;4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-prop-2-ynylbutanamide is sourced from PubChem (CID 160571310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).