2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid

C17H21N3O4S — CID 136549115

IUPAC2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H21N3O4S/c21-17(22)10-15-8-4-5-9-20(15)25(23,24)16-11-18-19(13-16)12-14-6-2-1-3-7-14/h1-3,6-7,11,13,15H,4-5,8-10,12H2,(H,21,22)
InChIKeyWWLGBMPFUKSEPA-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.95
Rot. Bonds6

About 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid

2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid (PubChem CID 136549115) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
PubChem CID136549115
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H21N3O4S/c21-17(22)10-15-8-4-5-9-20(15)25(23,24)16-11-18-19(13-16)12-14-6-2-1-3-7-14/h1-3,6-7,11,13,15H,4-5,8-10,12H2,(H,21,22)
InChIKeyWWLGBMPFUKSEPA-UHFFFAOYSA-N
XLogP1.95
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic 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

(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 124689676
[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125146183
(3aS,6aR)-2-(1-benzylpyrazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679594
2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol
CID 104692790
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetic acid
CID 57436798
(2S,5S)-4-(1-benzylpyrazol-4-yl)sulfonyl-2,5-dimethylmorpholine
CID 98750623
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969606
2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid
CID 61009148
[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
4-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 139007338
2-[1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61370104
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 62065329

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid (CID 136549115) is 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid?
The InChIKey is WWLGBMPFUKSEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-17(22)10-15-8-4-5-9-20(15)25(23,24)16-11-18-19(13-16)12-14-6-2-1-3-7-14/h1-3,6-7,11,13,15H,4-5,8-10,12H2,(H,21,22).
What are the key properties of 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid?
2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid has a molecular weight of 363.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid is sourced from PubChem (CID 136549115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).