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

C9H13N3O2 — CID 55220659

IUPACethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)12-4-3-8-7(6-12)5-10-11-8/h5H,2-4,6H2,1H3,(H,10,11)
InChIKeyYZRPSQAROQHAIY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.92
Rot. Bonds1

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

ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 55220659) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
PubChem CID55220659
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)12-4-3-8-7(6-12)5-10-11-8/h5H,2-4,6H2,1H3,(H,10,11)
InChIKeyYZRPSQAROQHAIY-UHFFFAOYSA-N
XLogP0.92
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate (CID 55220659) is ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is YZRPSQAROQHAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)12-4-3-8-7(6-12)5-10-11-8/h5H,2-4,6H2,1H3,(H,10,11).
What are the key properties of ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 55220659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).