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

C8H12ClN3O2 — CID 71306090

IUPAC5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride
SMILESCN1CCc2[nH]nc(C(=O)O)c2C1.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-11-3-2-6-5(4-11)7(8(12)13)10-9-6;/h2-4H2,1H3,(H,9,10)(H,12,13);1H
InChIKeyBNFRTXKDLIDNKT-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.52
Rot. Bonds1

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

5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 71306090) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride
PubChem CID71306090
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride
SMILESCN1CCc2[nH]nc(C(=O)O)c2C1.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-11-3-2-6-5(4-11)7(8(12)13)10-9-6;/h2-4H2,1H3,(H,9,10)(H,12,13);1H
InChIKeyBNFRTXKDLIDNKT-UHFFFAOYSA-N
XLogP0.52
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride (CID 71306090) is 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride is CN1CCc2[nH]nc(C(=O)O)c2C1.Cl.
What is the InChIKey of 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is BNFRTXKDLIDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-11-3-2-6-5(4-11)7(8(12)13)10-9-6;/h2-4H2,1H3,(H,9,10)(H,12,13);1H.
What are the key properties of 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride?
5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71306090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).