4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole

C80H116BrClF18N20 — CID 167597585

About 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 167597585) has the molecular formula C80H116BrClF18N20 and a molecular weight of 1815.27 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole
• PubChem CID: 167597585
• Molecular Formula: C80H116BrClF18N20
• Molecular Weight: 1815.27 g/mol
• Exact Mass: 1812.83
• IUPAC Name: 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole
• SMILES: CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1nc(C(F)(F)F)cc1C1CC1.CC(F)c1cc(C(F)F)n(C(C)C)n1.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.CC(F)c1nn(C(C)C)c(C(F)F)c1Cl
• InChI: InChI=1S/C12H17F3N2.C10H13F3N2.C9H12BrF3N2.C9H12ClF3N2.C9H13F3N2.C7H9F3N2.4C6H10N2/c1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-6(2)15-8(7-3-4-7)5-9(14-15)10(11,12)13;2*1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-5(2)14-8(9(11)12)4-7(13-14)6(3)10;1-5(2)12-4-3-6(11-12)7(8,9)10;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6-8,12H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;2*4-5,9H,1-3H3;4-6,9H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
• InChIKey: JHEBYDPPJJVRMW-UHFFFAOYSA-N
• XLogP: 27.86
• TPSA: 199.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1815.27
LogP ≤ 5	27.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole?

The IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 167597585) is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole.

What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole?

The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1nc(C(F)(F)F)cc1C1CC1.CC(F)c1cc(C(F)F)n(C(C)C)n1.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.CC(F)c1nn(C(C)C)c(C(F)F)c1Cl.

What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole?

The InChIKey is JHEBYDPPJJVRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2.C10H13F3N2.C9H12BrF3N2.C9H12ClF3N2.C9H13F3N2.C7H9F3N2.4C6H10N2/c1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-6(2)15-8(7-3-4-7)5-9(14-15)10(11,12)13;2*1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-5(2)14-8(9(11)12)4-7(13-14)6(3)10;1-5(2)12-4-3-6(11-12)7(8,9)10;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6-8,12H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;2*4-5,9H,1-3H3;4-6,9H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8).

What are the key properties of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole?

4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 1815.27 g/mol, XLogP of 27.86, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 167597585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).