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

C10H15N3O3 — CID 121435456

IUPAC3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC(C)(O)c1n[nH]c2c1CN(C(=O)O)CC2
InChIInChI=1S/C10H15N3O3/c1-10(2,16)8-6-5-13(9(14)15)4-3-7(6)11-12-8/h16H,3-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeySUAHYBWQHZMONG-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.67
Rot. Bonds1

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

3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 121435456) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID121435456
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC(C)(O)c1n[nH]c2c1CN(C(=O)O)CC2
InChIInChI=1S/C10H15N3O3/c1-10(2,16)8-6-5-13(9(14)15)4-3-7(6)11-12-8/h16H,3-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeySUAHYBWQHZMONG-UHFFFAOYSA-N
XLogP0.67
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 50986432
5-methyl-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine-3-carboxylic acid hydrochloride hydrate
CID 29892816
tert-butyl 3-(hydroxymethyl)-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-5-carboxylate
CID 71305920
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylmethanol
CID 56737757
5-acetyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 20784828
1,4,6,7-Tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
CID 22477803
5-Pentanoyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 28269227
3-Methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 69178684
tert-Butyl 3-(hydroxymethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 71305916
3-(Dihydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 90733729
2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)propan-2-ol
CID 117670077
Tert-butyl 3-tetrahydrofuran-2-yl-1,4,6,7-tetrahydropyrazolo [4,3-c]pyridine-5-carboxylate
CID 121435449

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 121435456) is 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is CC(C)(O)c1n[nH]c2c1CN(C(=O)O)CC2.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is SUAHYBWQHZMONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,16)8-6-5-13(9(14)15)4-3-7(6)11-12-8/h16H,3-5H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 121435456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).