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

C8H11N3O4 — CID 90733729

IUPAC3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]nc(C(O)O)c2C1
InChIInChI=1S/C8H11N3O4/c12-7(13)6-4-3-11(8(14)15)2-1-5(4)9-10-6/h7,12-13H,1-3H2,(H,9,10)(H,14,15)
InChIKeyATOXBANXETZICW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.57
Rot. Bonds1

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

3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 90733729) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID90733729
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]nc(C(O)O)c2C1
InChIInChI=1S/C8H11N3O4/c12-7(13)6-4-3-11(8(14)15)2-1-5(4)9-10-6/h7,12-13H,1-3H2,(H,9,10)(H,14,15)
InChIKeyATOXBANXETZICW-UHFFFAOYSA-N
XLogP-0.57
TPSA109.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 90733729) is 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2[nH]nc(C(O)O)c2C1.
What is the InChIKey of 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is ATOXBANXETZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-7(13)6-4-3-11(8(14)15)2-1-5(4)9-10-6/h7,12-13H,1-3H2,(H,9,10)(H,14,15).
What are the key properties of 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -0.57, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 90733729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).