ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride

C9H14ClN3O2 — CID 66523920

IUPACethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1n[nH]c2c1CNCC2.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-2-14-9(13)8-6-5-10-4-3-7(6)11-12-8;/h10H,2-5H2,1H3,(H,11,12);1H
InChIKeyMCDFHMGRGVFDOX-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.65
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride

ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride (PubChem CID 66523920) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
PubChem CID66523920
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Nameethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1n[nH]c2c1CNCC2.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-2-14-9(13)8-6-5-10-4-3-7(6)11-12-8;/h10H,2-5H2,1H3,(H,11,12);1H
InChIKeyMCDFHMGRGVFDOX-UHFFFAOYSA-N
XLogP0.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 12491542
ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
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5-tert-butyl 3-ethyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
CID 25220754
5-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 50986432
ethyl 1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylate
CID 20784929
5-methyl-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine-3-carboxylic acid hydrochloride hydrate
CID 29892816
4,5,6,7-Tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 37134663
ethyl 1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-3-carboxylate
CID 44558549
methyl 1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-3-carboxylate hydrochloride
CID 75465245
ethyl 1-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-3-carboxylate hydrochloride
CID 90489075
methyl 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate dihydrochloride
CID 121552715
ethyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate dihydrochloride
CID 137965802

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride (CID 66523920) is ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride is CCOC(=O)c1n[nH]c2c1CNCC2.Cl.
What is the InChIKey of ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The InChIKey is MCDFHMGRGVFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-2-14-9(13)8-6-5-10-4-3-7(6)11-12-8;/h10H,2-5H2,1H3,(H,11,12);1H.
What are the key properties of ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 66523920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).