tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide

C92H91Cl6F3N24O7S3 — CID 158715653

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

tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide (PubChem CID 158715653) has the molecular formula C92H91Cl6F3N24O7S3 and a molecular weight of 2010.81 g/mol. Its IUPAC name is tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide.

Molecular Properties

• Compound Name: tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide
• PubChem CID: 158715653
• Molecular Formula: C92H91Cl6F3N24O7S3
• Molecular Weight: 2010.81 g/mol
• Exact Mass: 2006.47
• IUPAC Name: tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide
• SMILES: C#CCN(C(=O)C(C)C)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)C(C)CSC)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)C(C)SC)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)CCSC)c1cn(-c2cccnc2)nc1Cl.C#CCN(C(=O)OC(C)(C)C)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C16H17ClN4O2.C16H17ClN4OS.C15H12ClF3N4O.2C15H15ClN4OS.C15H15ClN4O/c1-5-9-20(15(22)23-16(2,3)4)13-11-21(19-14(13)17)12-7-6-8-18-10-12;1-4-8-20(16(22)12(2)11-23-3)14-10-21(19-15(14)17)13-6-5-7-18-9-13;1-2-8-22(13(24)5-6-15(17,18)19)12-10-23(21-14(12)16)11-4-3-7-20-9-11;1-4-8-19(15(21)11(2)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12;1-3-8-19(14(21)6-9-22-2)13-11-20(18-15(13)16)12-5-4-7-17-10-12;1-4-8-19(15(21)11(2)3)13-10-20(18-14(13)16)12-6-5-7-17-9-12/h1,6-8,10-11H,9H2,2-4H3;1,5-7,9-10,12H,8,11H2,2-3H3;1,3-4,7,9-10H,5-6,8H2;1,5-7,9-11H,8H2,2-3H3;1,4-5,7,10-11H,6,8-9H2,2H3;1,5-7,9-11H,8H2,2-3H3
• InChIKey: IJGUABWFZWOLLD-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 315.35 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2010.81
LogP ≤ 5	17.23
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;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide?

The IUPAC name of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide (CID 158715653) is tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-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;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide?

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

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

The InChIKey is IJGUABWFZWOLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2.C16H17ClN4OS.C15H12ClF3N4O.2C15H15ClN4OS.C15H15ClN4O/c1-5-9-20(15(22)23-16(2,3)4)13-11-21(19-14(13)17)12-7-6-8-18-10-12;1-4-8-20(16(22)12(2)11-23-3)14-10-21(19-15(14)17)13-6-5-7-18-9-13;1-2-8-22(13(24)5-6-15(17,18)19)12-10-23(21-14(12)16)11-4-3-7-20-9-11;1-4-8-19(15(21)11(2)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12;1-3-8-19(14(21)6-9-22-2)13-11-20(18-15(13)16)12-5-4-7-17-10-12;1-4-8-19(15(21)11(2)3)13-10-20(18-14(13)16)12-6-5-7-17-9-12/h1,6-8,10-11H,9H2,2-4H3;1,5-7,9-10,12H,8,11H2,2-3H3;1,3-4,7,9-10H,5-6,8H2;1,5-7,9-11H,8H2,2-3H3;1,4-5,7,10-11H,6,8-9H2,2H3;1,5-7,9-11H,8H2,2-3H3.

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

tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide has a molecular weight of 2010.81 g/mol, XLogP of 17.23, 29 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;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-prop-2-ynylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-prop-2-ynylbutanamide is sourced from PubChem (CID 158715653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).