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

C11H17N3O5S — CID 81097131

IUPAC4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H17N3O5S/c1-7-9(8(10(15)16)13-12-7)20(18,19)14-5-3-11(2,17)4-6-14/h17H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeySUWAKKBZBWEZMW-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.05
Rot. Bonds3

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

4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 81097131) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID81097131
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H17N3O5S/c1-7-9(8(10(15)16)13-12-7)20(18,19)14-5-3-11(2,17)4-6-14/h17H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeySUWAKKBZBWEZMW-UHFFFAOYSA-N
XLogP-0.05
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid (CID 81097131) is 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1S(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is SUWAKKBZBWEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-7-9(8(10(15)16)13-12-7)20(18,19)14-5-3-11(2,17)4-6-14/h17H,3-6H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid?
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 81097131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).