ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C10H15N3O2 — CID 56711182

IUPACethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CNCC2
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)9-7-6-11-5-4-8(7)13(2)12-9/h11H,3-6H2,1-2H3
InChIKeyQDMBFQKQGKWMAO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.24
Rot. Bonds2

About ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 56711182) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID56711182
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CNCC2
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)9-7-6-11-5-4-8(7)13(2)12-9/h11H,3-6H2,1-2H3
InChIKeyQDMBFQKQGKWMAO-UHFFFAOYSA-N
XLogP0.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 56711182) is ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CNCC2.
What is the InChIKey of ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is QDMBFQKQGKWMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-10(14)9-7-6-11-5-4-8(7)13(2)12-9/h11H,3-6H2,1-2H3.
What are the key properties of ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 56711182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).