3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid

C17H21N3O4S — CID 97202781

IUPAC3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
SMILESCc1c(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)cnn1C
InChIInChI=1S/C17H21N3O4S/c1-12-16(10-18-19(12)2)25(23,24)20-8-4-7-15(11-20)13-5-3-6-14(9-13)17(21)22/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyRJTCJMSRYKRRSW-HNNXBMFYSA-N
MW363.44 g/mol
LogP2.00
Rot. Bonds4

About 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid

3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid (PubChem CID 97202781) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
PubChem CID97202781
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
SMILESCc1c(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)cnn1C
InChIInChI=1S/C17H21N3O4S/c1-12-16(10-18-19(12)2)25(23,24)20-8-4-7-15(11-20)13-5-3-6-14(9-13)17(21)22/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyRJTCJMSRYKRRSW-HNNXBMFYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic 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-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202782
3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003
3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid
CID 97191593
3-[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 72918439
3-[1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 72875109
3-[(3R)-1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97187404
3-[(3R)-1-[ethyl(methyl)sulfamoyl]piperidin-3-yl]benzoic acid
CID 97195906
1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 97209556
3-(1-methylsulfonylazetidin-3-yl)benzoic acid
CID 170992355
4-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97191248
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 40653181
3-[1-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72923298

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid?
The IUPAC name of 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid (CID 97202781) is 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid is Cc1c(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)cnn1C.
What is the InChIKey of 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid?
The InChIKey is RJTCJMSRYKRRSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-16(10-18-19(12)2)25(23,24)20-8-4-7-15(11-20)13-5-3-6-14(9-13)17(21)22/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid?
3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid has a molecular weight of 363.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid is sourced from PubChem (CID 97202781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).