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

C8H10N2O2 — CID 83680740

IUPAC4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCn2nccc2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)6-2-4-10-7(5-6)1-3-9-10/h1,3,6H,2,4-5H2,(H,11,12)
InChIKeyKUJZRPUKHKFPJV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.53
Rot. Bonds1

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

4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 83680740) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID83680740
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCn2nccc2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)6-2-4-10-7(5-6)1-3-9-10/h1,3,6H,2,4-5H2,(H,11,12)
InChIKeyKUJZRPUKHKFPJV-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid (CID 83680740) is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)C1CCn2nccc2C1.
What is the InChIKey of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is KUJZRPUKHKFPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)6-2-4-10-7(5-6)1-3-9-10/h1,3,6H,2,4-5H2,(H,11,12).
What are the key properties of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 83680740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).