3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

C11H15N3O3 — CID 121435480

IUPAC3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]nc(C3CCCO3)c2C1
InChIInChI=1S/C11H15N3O3/c15-11(16)14-4-3-8-7(6-14)10(13-12-8)9-2-1-5-17-9/h9H,1-6H2,(H,12,13)(H,15,16)
InChIKeyCOFCUWZQLRTGDE-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.30
Rot. Bonds1

About 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 121435480) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID121435480
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]nc(C3CCCO3)c2C1
InChIInChI=1S/C11H15N3O3/c15-11(16)14-4-3-8-7(6-14)10(13-12-8)9-2-1-5-17-9/h9H,1-6H2,(H,12,13)(H,15,16)
InChIKeyCOFCUWZQLRTGDE-UHFFFAOYSA-N
XLogP1.30
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 121435480) is 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2[nH]nc(C3CCCO3)c2C1.
What is the InChIKey of 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is COFCUWZQLRTGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-11(16)14-4-3-8-7(6-14)10(13-12-8)9-2-1-5-17-9/h9H,1-6H2,(H,12,13)(H,15,16).
What are the key properties of 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 121435480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).