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

C10H16ClN3O2 — CID 90489075

IUPACethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1nn(C)c2c1CNCC2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-3-15-10(14)9-7-6-11-5-4-8(7)13(2)12-9;/h11H,3-6H2,1-2H3;1H
InChIKeyGHPSXXXUMVXBOU-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.66
Rot. Bonds2

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

ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride (PubChem CID 90489075) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
PubChem CID90489075
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Nameethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1nn(C)c2c1CNCC2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-3-15-10(14)9-7-6-11-5-4-8(7)13(2)12-9;/h11H,3-6H2,1-2H3;1H
InChIKeyGHPSXXXUMVXBOU-UHFFFAOYSA-N
XLogP0.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.66
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;hydrochloride?
The IUPAC name of ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride (CID 90489075) is ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride is CCOC(=O)c1nn(C)c2c1CNCC2.Cl.
What is the InChIKey of ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The InChIKey is GHPSXXXUMVXBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-3-15-10(14)9-7-6-11-5-4-8(7)13(2)12-9;/h11H,3-6H2,1-2H3;1H.
What are the key properties of ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
ethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.66, 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;hydrochloride is sourced from PubChem (CID 90489075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).