5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid

C11H17N3O5S — CID 62469033

IUPAC5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)N1CCCC1CCCO
InChIInChI=1S/C11H17N3O5S/c15-6-2-4-8-3-1-5-14(8)20(18,19)10-9(11(16)17)7-12-13-10/h7-8,15H,1-6H2,(H,12,13)(H,16,17)
InChIKeyVNGVGVTWGVZKMY-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.03
Rot. Bonds6

About 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid

5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 62469033) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID62469033
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)N1CCCC1CCCO
InChIInChI=1S/C11H17N3O5S/c15-6-2-4-8-3-1-5-14(8)20(18,19)10-9(11(16)17)7-12-13-10/h7-8,15H,1-6H2,(H,12,13)(H,16,17)
InChIKeyVNGVGVTWGVZKMY-UHFFFAOYSA-N
XLogP0.03
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60950937
ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
CID 60911817
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 54934357
5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 93350476
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 62479576
(2S,3S)-1-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105369
3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 107327086
5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 61402961
5-[cyclohexyl(2-hydroxyethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951851
3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62479579
3-[1-(3-amino-5-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467367

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid (CID 62469033) is 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)N1CCCC1CCCO.
What is the InChIKey of 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is VNGVGVTWGVZKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c15-6-2-4-8-3-1-5-14(8)20(18,19)10-9(11(16)17)7-12-13-10/h7-8,15H,1-6H2,(H,12,13)(H,16,17).
What are the key properties of 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62469033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).