3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

C8H11N3O2 — CID 69178684

IUPAC3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCc1[nH]nc2c1CN(C(=O)O)CC2
InChIInChI=1S/C8H11N3O2/c1-5-6-4-11(8(12)13)3-2-7(6)10-9-5/h2-4H2,1H3,(H,9,10)(H,12,13)
InChIKeyYNIROOGUQPOYGT-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.75
Rot. Bonds

About 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 69178684) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID69178684
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCc1[nH]nc2c1CN(C(=O)O)CC2
InChIInChI=1S/C8H11N3O2/c1-5-6-4-11(8(12)13)3-2-7(6)10-9-5/h2-4H2,1H3,(H,9,10)(H,12,13)
InChIKeyYNIROOGUQPOYGT-UHFFFAOYSA-N
XLogP0.75
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 69178684) is 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is Cc1[nH]nc2c1CN(C(=O)O)CC2.
What is the InChIKey of 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is YNIROOGUQPOYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-6-4-11(8(12)13)3-2-7(6)10-9-5/h2-4H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 69178684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).