1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid

C8H9N3O4 — CID 22477803

IUPAC1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C(=O)O)CC2
InChIInChI=1S/C8H9N3O4/c12-7(13)6-4-3-11(8(14)15)2-1-5(4)9-10-6/h1-3H2,(H,9,10)(H,12,13)(H,14,15)
InChIKeyDYOQFEMFHMOUIG-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.14
Rot. Bonds1

About 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid

1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid (PubChem CID 22477803) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
PubChem CID22477803
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C(=O)O)CC2
InChIInChI=1S/C8H9N3O4/c12-7(13)6-4-3-11(8(14)15)2-1-5(4)9-10-6/h1-3H2,(H,9,10)(H,12,13)(H,14,15)
InChIKeyDYOQFEMFHMOUIG-UHFFFAOYSA-N
XLogP0.14
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid?
The IUPAC name of 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid (CID 22477803) is 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid is O=C(O)c1n[nH]c2c1CN(C(=O)O)CC2.
What is the InChIKey of 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid?
The InChIKey is DYOQFEMFHMOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-7(13)6-4-3-11(8(14)15)2-1-5(4)9-10-6/h1-3H2,(H,9,10)(H,12,13)(H,14,15).
What are the key properties of 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid?
1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid has a molecular weight of 211.18 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 22477803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).