5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

C11H17N3O4S — CID 62032946

IUPAC5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N2CCCCC2C)c1C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-7-5-3-4-6-14(7)19(17,18)10-9(11(15)16)8(2)12-13-10/h7H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyPWOMDYVTVBMDQL-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.98
Rot. Bonds3

About 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 62032946) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID62032946
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N2CCCCC2C)c1C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-7-5-3-4-6-14(7)19(17,18)10-9(11(15)16)8(2)12-13-10/h7H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyPWOMDYVTVBMDQL-UHFFFAOYSA-N
XLogP0.98
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-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

5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 62034394
3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 62034756
3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60869218
ethyl 2,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrrole-3-carboxylate
CID 53298960
3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 62033307
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
2-[3,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43513488
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62805389
4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 60724024
(2R,3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105053
5-methyl-3-(2-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65373616

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (CID 62032946) is 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(S(=O)(=O)N2CCCCC2C)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is PWOMDYVTVBMDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7-5-3-4-6-14(7)19(17,18)10-9(11(15)16)8(2)12-13-10/h7H,3-6H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62032946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).