3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole

C65H111F3N16O — CID 159748987

About 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole

3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole (PubChem CID 159748987) has the molecular formula C65H111F3N16O and a molecular weight of 1189.71 g/mol. Its IUPAC name is 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole.

Molecular Properties

• Compound Name: 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
• PubChem CID: 159748987
• Molecular Formula: C65H111F3N16O
• Molecular Weight: 1189.71 g/mol
• Exact Mass: 1188.91
• IUPAC Name: 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
• SMILES: CC(C)n1ccc(C(F)(F)F)n1.CCc1cc(CC)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(CO)nn1C(C)C.Cc1ccn(C(C)C)n1.Cc1nn(C(C)C)c(C)c1C
• InChI: InChI=1S/C10H18N2.C9H16N2.C8H14N2O.3C8H14N2.C7H9F3N2.C7H12N2/c1-5-9-7-10(6-2)12(11-9)8(3)4;1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)10-7(3)4-8(5-11)9-10;3*1-6(2)10-8(4)5-7(3)9-10;1-5(2)12-4-3-6(11-12)7(8,9)10;1-6(2)9-5-4-7(3)8-9/h7-8H,5-6H2,1-4H3;6H,1-5H3;4,6,11H,5H2,1-3H3;3*5-6H,1-4H3;3-5H,1-2H3;4-6H,1-3H3
• InChIKey: NDKIQNRWTHDLLS-UHFFFAOYSA-N
• XLogP: 16.74
• TPSA: 162.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1189.71
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?

The IUPAC name of 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole (CID 159748987) is 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole.

What is the SMILES notation for 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?

The canonical SMILES for 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole is CC(C)n1ccc(C(F)(F)F)n1.CCc1cc(CC)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(C)n(C(C)C)n1.Cc1cc(CO)nn1C(C)C.Cc1ccn(C(C)C)n1.Cc1nn(C(C)C)c(C)c1C.

What is the InChIKey of 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?

The InChIKey is NDKIQNRWTHDLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H16N2.C8H14N2O.3C8H14N2.C7H9F3N2.C7H12N2/c1-5-9-7-10(6-2)12(11-9)8(3)4;1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)10-7(3)4-8(5-11)9-10;3*1-6(2)10-8(4)5-7(3)9-10;1-5(2)12-4-3-6(11-12)7(8,9)10;1-6(2)9-5-4-7(3)8-9/h7-8H,5-6H2,1-4H3;6H,1-5H3;4,6,11H,5H2,1-3H3;3*5-6H,1-4H3;3-5H,1-2H3;4-6H,1-3H3.

What are the key properties of 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?

3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole has a molecular weight of 1189.71 g/mol, XLogP of 16.74, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diethyl-1-propan-2-ylpyrazole;tris(3,5-dimethyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-ylpyrazole;(5-methyl-1-propan-2-ylpyrazol-3-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 159748987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).