ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate

C23H33N5O5 — CID 20919425

About ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate

ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate (PubChem CID 20919425) has the molecular formula C23H33N5O5 and a molecular weight of 459.55 g/mol. Its IUPAC name is ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate
• PubChem CID: 20919425
• Molecular Formula: C23H33N5O5
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.25
• IUPAC Name: ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)c2cc3n(n2)CC(C)(C(=O)NC2CCCC2)N(C)C3=O)CC1
• InChI: InChI=1S/C23H33N5O5/c1-4-33-21(31)15-9-11-27(12-10-15)19(29)17-13-18-20(30)26(3)23(2,14-28(18)25-17)22(32)24-16-7-5-6-8-16/h13,15-16H,4-12,14H2,1-3H3,(H,24,32)
• InChIKey: MXSFZSGVDREZTR-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 113.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate (CID 20919425) is ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3n(n2)CC(C)(C(=O)NC2CCCC2)N(C)C3=O)CC1.

What is the InChIKey of ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate?

The InChIKey is MXSFZSGVDREZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5/c1-4-33-21(31)15-9-11-27(12-10-15)19(29)17-13-18-20(30)26(3)23(2,14-28(18)25-17)22(32)24-16-7-5-6-8-16/h13,15-16H,4-12,14H2,1-3H3,(H,24,32).

What are the key properties of ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate?

ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 459.55 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 20919425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).