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

C9H13N3O4S — CID 138471672

IUPAC3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCCS(=O)(=O)c1n[nH]c2c1CN(C(=O)O)CC2
InChIInChI=1S/C9H13N3O4S/c1-2-17(15,16)8-6-5-12(9(13)14)4-3-7(6)10-11-8/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyHZTUWHSOGBNOON-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.24
Rot. Bonds2

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

3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 138471672) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID138471672
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCCS(=O)(=O)c1n[nH]c2c1CN(C(=O)O)CC2
InChIInChI=1S/C9H13N3O4S/c1-2-17(15,16)8-6-5-12(9(13)14)4-3-7(6)10-11-8/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyHZTUWHSOGBNOON-UHFFFAOYSA-N
XLogP0.24
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 175172820
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 175056798
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 71773207
tert-butyl 3-(diethylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 82585307
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657
1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone
CID 95828317
2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 131900832
3-bromo-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121365445
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
1-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 138471672) is 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is CCS(=O)(=O)c1n[nH]c2c1CN(C(=O)O)CC2.
What is the InChIKey of 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is HZTUWHSOGBNOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-17(15,16)8-6-5-12(9(13)14)4-3-7(6)10-11-8/h2-5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 138471672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).