1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid

C11H16ClN3O5S — CID 56875241

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C11H16ClN3O5S/c1-7-8(9(12)14(2)13-7)21(19,20)15-5-3-11(18,4-6-15)10(16)17/h18H,3-6H2,1-2H3,(H,16,17)
InChIKeyMNFWSFCPKHCWBY-UHFFFAOYSA-N
MW337.79 g/mol
LogP-0.02
Rot. Bonds3

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56875241) has the molecular formula C11H16ClN3O5S and a molecular weight of 337.79 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56875241
Molecular FormulaC11H16ClN3O5S
Molecular Weight337.79 g/mol
Exact Mass337.05
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C11H16ClN3O5S/c1-7-8(9(12)14(2)13-7)21(19,20)15-5-3-11(18,4-6-15)10(16)17/h18H,3-6H2,1-2H3,(H,16,17)
InChIKeyMNFWSFCPKHCWBY-UHFFFAOYSA-N
XLogP-0.02
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid (CID 56875241) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is MNFWSFCPKHCWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O5S/c1-7-8(9(12)14(2)13-7)21(19,20)15-5-3-11(18,4-6-15)10(16)17/h18H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 337.79 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56875241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).