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

C8H12ClN3O2 — CID 154843145

IUPACmethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride
SMILESCOC(=O)C1NCCc2cn[nH]c21.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-13-8(12)7-6-5(2-3-9-7)4-10-11-6;/h4,7,9H,2-3H2,1H3,(H,10,11);1H
InChIKeyCGLGLJOLCUZZSY-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.19
Rot. Bonds1

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

methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride (PubChem CID 154843145) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride
PubChem CID154843145
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Namemethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride
SMILESCOC(=O)C1NCCc2cn[nH]c21.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-13-8(12)7-6-5(2-3-9-7)4-10-11-6;/h4,7,9H,2-3H2,1H3,(H,10,11);1H
InChIKeyCGLGLJOLCUZZSY-UHFFFAOYSA-N
XLogP0.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride?
The IUPAC name of methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride (CID 154843145) is methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride?
The canonical SMILES for methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride is COC(=O)C1NCCc2cn[nH]c21.Cl.
What is the InChIKey of methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride?
The InChIKey is CGLGLJOLCUZZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-13-8(12)7-6-5(2-3-9-7)4-10-11-6;/h4,7,9H,2-3H2,1H3,(H,10,11);1H.
What are the key properties of methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride?
methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride is sourced from PubChem (CID 154843145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).