ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C17H23N5O3 — CID 26135305

About ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26135305) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26135305
• Molecular Formula: C17H23N5O3
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.18
• IUPAC Name: ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1cnn(CC)c1)CC2
• InChI: InChI=1S/C17H23N5O3/c1-4-21-10-12(9-18-21)16(23)20-8-7-14-13(11-20)15(17(24)25-6-3)19-22(14)5-2/h9-10H,4-8,11H2,1-3H3
• InChIKey: KPKPFYYKPKYEGG-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 82.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26135305) is ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1cnn(CC)c1)CC2.

What is the InChIKey of ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is KPKPFYYKPKYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-21-10-12(9-18-21)16(23)20-8-7-14-13(11-20)15(17(24)25-6-3)19-22(14)5-2/h9-10H,4-8,11H2,1-3H3.

What are the key properties of ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26135305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).