3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine

C43H47Cl2F8N9O3 — CID 157222508

About 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine (PubChem CID 157222508) has the molecular formula C43H47Cl2F8N9O3 and a molecular weight of 960.80 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine.

Molecular Properties

• Compound Name: 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine
• PubChem CID: 157222508
• Molecular Formula: C43H47Cl2F8N9O3
• Molecular Weight: 960.80 g/mol
• Exact Mass: 959.31
• IUPAC Name: 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine
• SMILES: CC(C)c1c(N)cnn1-c1ccc(F)cc1.Cc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)O
• InChI: InChI=1S/C22H23ClF4N4O.C12H14FN3.C9H10ClF3N2O2/c1-12(2)19-14(11-28-30(19)16-8-6-15(24)7-9-16)10-17(32)21(4,5)31-13(3)18(23)20(29-31)22(25,26)27;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-4-5(10)6(9(11,12)13)14-15(4)8(2,3)7(16)17/h6-9,11-12H,10H2,1-5H3;3-8H,14H2,1-2H3;1-3H3,(H,16,17)
• InChIKey: ATDSSZNSOUMVJU-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 151.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	960.80
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine?

The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine (CID 157222508) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine.

What is the SMILES notation for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine?

The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine is CC(C)c1c(N)cnn1-c1ccc(F)cc1.Cc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)O.

What is the InChIKey of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine?

The InChIKey is ATDSSZNSOUMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF4N4O.C12H14FN3.C9H10ClF3N2O2/c1-12(2)19-14(11-28-30(19)16-8-6-15(24)7-9-16)10-17(32)21(4,5)31-13(3)18(23)20(29-31)22(25,26)27;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-4-5(10)6(9(11,12)13)14-15(4)8(2,3)7(16)17/h6-9,11-12H,10H2,1-5H3;3-8H,14H2,1-2H3;1-3H3,(H,16,17).

What are the key properties of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine?

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine has a molecular weight of 960.80 g/mol, XLogP of 11.26, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methylbutan-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoic acid;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 157222508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).