N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane

C27H37F4N5O5 — CID 166470861

About N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane

N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane (PubChem CID 166470861) has the molecular formula C27H37F4N5O5 and a molecular weight of 587.62 g/mol. Its IUPAC name is N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane.

Molecular Properties

• Compound Name: N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane
• PubChem CID: 166470861
• Molecular Formula: C27H37F4N5O5
• Molecular Weight: 587.62 g/mol
• Exact Mass: 587.27
• IUPAC Name: N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane
• SMILES: CCC.COc1cc(NC(=O)CNC(=O)c2ccnn2C(C)C)c(F)cc1C(C)C(=O)N1CC(O)CC1C(F)(F)F
• InChI: InChI=1S/C24H29F4N5O5.C3H8/c1-12(2)33-18(5-6-30-33)22(36)29-10-21(35)31-17-9-19(38-4)15(8-16(17)25)13(3)23(37)32-11-14(34)7-20(32)24(26,27)28;1-3-2/h5-6,8-9,12-14,20,34H,7,10-11H2,1-4H3,(H,29,36)(H,31,35);3H2,1-2H3
• InChIKey: SMDJFIGBPWOQIO-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 125.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.62
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane?

The IUPAC name of N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane (CID 166470861) is N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane.

What is the SMILES notation for N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane?

The canonical SMILES for N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane is CCC.COc1cc(NC(=O)CNC(=O)c2ccnn2C(C)C)c(F)cc1C(C)C(=O)N1CC(O)CC1C(F)(F)F.

What is the InChIKey of N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane?

The InChIKey is SMDJFIGBPWOQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F4N5O5.C3H8/c1-12(2)33-18(5-6-30-33)22(36)29-10-21(35)31-17-9-19(38-4)15(8-16(17)25)13(3)23(37)32-11-14(34)7-20(32)24(26,27)28;1-3-2/h5-6,8-9,12-14,20,34H,7,10-11H2,1-4H3,(H,29,36)(H,31,35);3H2,1-2H3.

What are the key properties of N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane?

N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane has a molecular weight of 587.62 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-fluoro-4-[1-[4-hydroxy-2-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methoxyanilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;propane is sourced from PubChem (CID 166470861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).