N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C26H32F3N5O3 — CID 166470890

About N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166470890) has the molecular formula C26H32F3N5O3 and a molecular weight of 519.57 g/mol. Its IUPAC name is N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 166470890
• Molecular Formula: C26H32F3N5O3
• Molecular Weight: 519.57 g/mol
• Exact Mass: 519.25
• IUPAC Name: N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1nccc1C(=O)NC(C(=O)Nc1ccc(CC(=O)NCC(F)F)cc1F)C(C1CC1)C1CC1
• InChI: InChI=1S/C26H32F3N5O3/c1-14(2)34-20(9-10-31-34)25(36)33-24(23(16-4-5-16)17-6-7-17)26(37)32-19-8-3-15(11-18(19)27)12-22(35)30-13-21(28)29/h3,8-11,14,16-17,21,23-24H,4-7,12-13H2,1-2H3,(H,30,35)(H,32,37)(H,33,36)
• InChIKey: LDZNYQAENIFTGC-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 105.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.57
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166470890) is N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NC(C(=O)Nc1ccc(CC(=O)NCC(F)F)cc1F)C(C1CC1)C1CC1.

What is the InChIKey of N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is LDZNYQAENIFTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O3/c1-14(2)34-20(9-10-31-34)25(36)33-24(23(16-4-5-16)17-6-7-17)26(37)32-19-8-3-15(11-18(19)27)12-22(35)30-13-21(28)29/h3,8-11,14,16-17,21,23-24H,4-7,12-13H2,1-2H3,(H,30,35)(H,32,37)(H,33,36).

What are the key properties of N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 519.57 g/mol, XLogP of 3.70, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,1-dicyclopropyl-3-[4-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166470890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).