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

C8H11N3O2 — CID 82408544

IUPAC5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid
SMILESCN1Cc2cn[nH]c2C(C(=O)O)C1
InChIInChI=1S/C8H11N3O2/c1-11-3-5-2-9-10-7(5)6(4-11)8(12)13/h2,6H,3-4H2,1H3,(H,9,10)(H,12,13)
InChIKeyAVXBUPZBUNMUTO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.02
Rot. Bonds1

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

5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 82408544) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid
PubChem CID82408544
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid
SMILESCN1Cc2cn[nH]c2C(C(=O)O)C1
InChIInChI=1S/C8H11N3O2/c1-11-3-5-2-9-10-7(5)6(4-11)8(12)13/h2,6H,3-4H2,1H3,(H,9,10)(H,12,13)
InChIKeyAVXBUPZBUNMUTO-UHFFFAOYSA-N
XLogP0.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.02
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[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid (CID 82408544) is 5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid is CN1Cc2cn[nH]c2C(C(=O)O)C1.
What is the InChIKey of 5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is AVXBUPZBUNMUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-3-5-2-9-10-7(5)6(4-11)8(12)13/h2,6H,3-4H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid?
5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.02, 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[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 82408544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).