5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

C24H29F3N4O3 — CID 150807519

About 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 150807519) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

• Compound Name: 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
• PubChem CID: 150807519
• Molecular Formula: C24H29F3N4O3
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.22
• IUPAC Name: 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
• SMILES: CCn1nccc1C1CNC(=O)CC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2
• InChI: InChI=1S/C24H29F3N4O3/c1-3-31-19(9-12-29-31)18-16-28-20(32)15-22(18)10-13-30(14-11-22)21(33)23(34-2,24(25,26)27)17-7-5-4-6-8-17/h4-9,12,18H,3,10-11,13-16H2,1-2H3,(H,28,32)/t18?,23-/m1/s1
• InChIKey: KHENDRDEASCGEB-WBPHRXDCSA-N
• XLogP: 3.22
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?

The IUPAC name of 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (CID 150807519) is 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

What is the SMILES notation for 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?

The canonical SMILES for 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is CCn1nccc1C1CNC(=O)CC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2.

What is the InChIKey of 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?

The InChIKey is KHENDRDEASCGEB-WBPHRXDCSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c1-3-31-19(9-12-29-31)18-16-28-20(32)15-22(18)10-13-30(14-11-22)21(33)23(34-2,24(25,26)27)17-7-5-4-6-8-17/h4-9,12,18H,3,10-11,13-16H2,1-2H3,(H,28,32)/t18?,23-/m1/s1.

What are the key properties of 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?

5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 478.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 150807519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).