ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C14H17N5O4 — CID 26132885

About ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26132885) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26132885
• Molecular Formula: C14H17N5O4
• Molecular Weight: 319.32 g/mol
• Exact Mass: 319.13
• IUPAC Name: ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(C)c2c1CN(C(=O)c1nonc1C)CC2
• InChI: InChI=1S/C14H17N5O4/c1-4-22-14(21)12-9-7-19(6-5-10(9)18(3)15-12)13(20)11-8(2)16-23-17-11/h4-7H2,1-3H3
• InChIKey: AAQCSMHFFUGNQM-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 103.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.32
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26132885) is ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CN(C(=O)c1nonc1C)CC2.

What is the InChIKey of ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is AAQCSMHFFUGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-4-22-14(21)12-9-7-19(6-5-10(9)18(3)15-12)13(20)11-8(2)16-23-17-11/h4-7H2,1-3H3.

What are the key properties of ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-methyl-5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26132885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).