tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide

C86H90Cl6F13N25O7 — CID 158323134

About tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide

tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 158323134) has the molecular formula C86H90Cl6F13N25O7 and a molecular weight of 2045.53 g/mol. Its IUPAC name is tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

• Compound Name: tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide
• PubChem CID: 158323134
• Molecular Formula: C86H90Cl6F13N25O7
• Molecular Weight: 2045.53 g/mol
• Exact Mass: 2041.54
• IUPAC Name: tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide
• SMILES: CC(C)(C)OC(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CC(C)(C)OC(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.N/C(=N\c1cn(-c2cccnc2)nc1Cl)C1CC1.O=C(CC(F)(F)F)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C17H20ClF3N4O2.C17H22ClFN4O2.C15H14ClF3N4O.C13H12ClF3N4O.C12H10ClF3N4O.C12H12ClN5/c1-16(2,3)27-15(26)24(9-5-7-17(19,20)21)13-11-25(23-14(13)18)12-6-4-8-22-10-12;1-17(2,3)25-16(24)22(10-5-4-8-19)14-12-23(21-15(14)18)13-7-6-9-20-11-13;16-14-12(9-23(21-14)11-2-1-5-20-7-11)22(8-10-3-4-10)13(24)6-15(17,18)19;1-2-20(11(22)6-13(15,16)17)10-8-21(19-12(10)14)9-4-3-5-18-7-9;1-19(10(21)5-12(14,15)16)9-7-20(18-11(9)13)8-3-2-4-17-6-8;13-11-10(16-12(14)8-3-4-8)7-18(17-11)9-2-1-5-15-6-9/h4,6,8,10-11H,5,7,9H2,1-3H3;6-7,9,11-12H,4-5,8,10H2,1-3H3;1-2,5,7,9-10H,3-4,6,8H2;3-5,7-8H,2,6H2,1H3;2-4,6-7H,5H2,1H3;1-2,5-8H,3-4H2,(H2,14,16)
• InChIKey: GPBZXNSTMNBMOC-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 342.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.53
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide?

The IUPAC name of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide (CID 158323134) is tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide.

What is the SMILES notation for tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide?

The canonical SMILES for tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide is CC(C)(C)OC(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CC(C)(C)OC(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.N/C(=N\c1cn(-c2cccnc2)nc1Cl)C1CC1.O=C(CC(F)(F)F)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide?

The InChIKey is GPBZXNSTMNBMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N4O2.C17H22ClFN4O2.C15H14ClF3N4O.C13H12ClF3N4O.C12H10ClF3N4O.C12H12ClN5/c1-16(2,3)27-15(26)24(9-5-7-17(19,20)21)13-11-25(23-14(13)18)12-6-4-8-22-10-12;1-17(2,3)25-16(24)22(10-5-4-8-19)14-12-23(21-15(14)18)13-7-6-9-20-11-13;16-14-12(9-23(21-14)11-2-1-5-20-7-11)22(8-10-3-4-10)13(24)6-15(17,18)19;1-2-20(11(22)6-13(15,16)17)10-8-21(19-12(10)14)9-4-3-5-18-7-9;1-19(10(21)5-12(14,15)16)9-7-20(18-11(9)13)8-3-2-4-17-6-8;13-11-10(16-12(14)8-3-4-8)7-18(17-11)9-2-1-5-15-6-9/h4,6,8,10-11H,5,7,9H2,1-3H3;6-7,9,11-12H,4-5,8,10H2,1-3H3;1-2,5,7,9-10H,3-4,6,8H2;3-5,7-8H,2,6H2,1H3;2-4,6-7H,5H2,1H3;1-2,5-8H,3-4H2,(H2,14,16).

What are the key properties of tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide?

tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 2045.53 g/mol, XLogP of 21.41, 26 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)carbamate;tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)carbamate;N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 158323134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).