5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C24H28F4N6O2 — CID 164987148

About 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164987148) has the molecular formula C24H28F4N6O2 and a molecular weight of 508.52 g/mol. Its IUPAC name is 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 164987148
• Molecular Formula: C24H28F4N6O2
• Molecular Weight: 508.52 g/mol
• Exact Mass: 508.22
• IUPAC Name: 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(C(C)(C)C(F)(F)F)n(C)n3)c(F)c2)c(C(N)=O)c1N
• InChI: InChI=1S/C24H28F4N6O2/c1-12(2)34-21(29)19(22(30)36)20(32-34)14-7-6-13(17(25)9-14)8-16(35)10-15-11-18(33(5)31-15)23(3,4)24(26,27)28/h6-7,9,11-12H,8,10,29H2,1-5H3,(H2,30,36)
• InChIKey: GIDJOYYBTUCXPS-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 121.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164987148) is 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(C(C)(C)C(F)(F)F)n(C)n3)c(F)c2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is GIDJOYYBTUCXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N6O2/c1-12(2)34-21(29)19(22(30)36)20(32-34)14-7-6-13(17(25)9-14)8-16(35)10-15-11-18(33(5)31-15)23(3,4)24(26,27)28/h6-7,9,11-12H,8,10,29H2,1-5H3,(H2,30,36).

What are the key properties of 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 508.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[3-fluoro-4-[3-[1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164987148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).