3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid

C8H7N3O3 — CID 136693501

IUPAC3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid
SMILESCc1[nH]nc2c(C(=O)O)c[nH]c(=O)c12
InChIInChI=1S/C8H7N3O3/c1-3-5-6(11-10-3)4(8(13)14)2-9-7(5)12/h2H,1H3,(H,9,12)(H,10,11)(H,13,14)
InChIKeyGIZLBHXJIAQRMD-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.26
Rot. Bonds1

About 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid

3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid (PubChem CID 136693501) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid
PubChem CID136693501
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid
SMILESCc1[nH]nc2c(C(=O)O)c[nH]c(=O)c12
InChIInChI=1S/C8H7N3O3/c1-3-5-6(11-10-3)4(8(13)14)2-9-7(5)12/h2H,1H3,(H,9,12)(H,10,11)(H,13,14)
InChIKeyGIZLBHXJIAQRMD-UHFFFAOYSA-N
XLogP0.26
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid?
The IUPAC name of 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid (CID 136693501) is 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid?
The canonical SMILES for 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid is Cc1[nH]nc2c(C(=O)O)c[nH]c(=O)c12.
What is the InChIKey of 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid?
The InChIKey is GIZLBHXJIAQRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-3-5-6(11-10-3)4(8(13)14)2-9-7(5)12/h2H,1H3,(H,9,12)(H,10,11)(H,13,14).
What are the key properties of 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid?
3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 136693501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).