3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid

C28H30F3N5O5 — CID 11273132

About 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid

3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid (PubChem CID 11273132) has the molecular formula C28H30F3N5O5 and a molecular weight of 573.57 g/mol. Its IUPAC name is 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid
• PubChem CID: 11273132
• Molecular Formula: C28H30F3N5O5
• Molecular Weight: 573.57 g/mol
• Exact Mass: 573.22
• IUPAC Name: 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(C(=O)NC2CC2)cc1-n1nc(OC2CCNCC2)c(C(=O)c2ccccc2)c1N.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H29N5O3.C2HF3O2/c1-16-7-8-18(25(33)29-19-9-10-19)15-21(16)31-24(27)22(23(32)17-5-3-2-4-6-17)26(30-31)34-20-11-13-28-14-12-20;3-2(4,5)1(6)7/h2-8,15,19-20,28H,9-14,27H2,1H3,(H,29,33);(H,6,7)
• InChIKey: DPEKNZKKZXXRHQ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 148.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.57
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid (CID 11273132) is 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)NC2CC2)cc1-n1nc(OC2CCNCC2)c(C(=O)c2ccccc2)c1N.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid?

The InChIKey is DPEKNZKKZXXRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3.C2HF3O2/c1-16-7-8-18(25(33)29-19-9-10-19)15-21(16)31-24(27)22(23(32)17-5-3-2-4-6-17)26(30-31)34-20-11-13-28-14-12-20;3-2(4,5)1(6)7/h2-8,15,19-20,28H,9-14,27H2,1H3,(H,29,33);(H,6,7).

What are the key properties of 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid?

3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 573.57 g/mol, XLogP of 3.65, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-amino-4-benzoyl-3-piperidin-4-yloxypyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11273132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).