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

C8H12ClN3O2 — CID 75465240

IUPAC1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.Cn1nc(C(=O)O)c2c1CNCC2
InChIInChI=1S/C8H11N3O2.ClH/c1-11-6-4-9-3-2-5(6)7(10-11)8(12)13;/h9H,2-4H2,1H3,(H,12,13);1H
InChIKeyFQICTQXQQDAPAI-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.19
Rot. Bonds1

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

1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 75465240) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride
PubChem CID75465240
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.Cn1nc(C(=O)O)c2c1CNCC2
InChIInChI=1S/C8H11N3O2.ClH/c1-11-6-4-9-3-2-5(6)7(10-11)8(12)13;/h9H,2-4H2,1H3,(H,12,13);1H
InChIKeyFQICTQXQQDAPAI-UHFFFAOYSA-N
XLogP0.19
TPSA67.15 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 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride (CID 75465240) is 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride is Cl.Cn1nc(C(=O)O)c2c1CNCC2.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is FQICTQXQQDAPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-11-6-4-9-3-2-5(6)7(10-11)8(12)13;/h9H,2-4H2,1H3,(H,12,13);1H.
What are the key properties of 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride?
1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;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 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 75465240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).