1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride

C11H18ClN3O4S — CID 6603311

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C11H17N3O4S.ClH/c1-7-10(8(2)13-12-7)19(17,18)14-5-3-9(4-6-14)11(15)16;/h9H,3-6H2,1-2H3,(H,12,13)(H,15,16);1H
InChIKeyKEYNWMOPRNZBRR-UHFFFAOYSA-N
MW323.80 g/mol
LogP0.93
Rot. Bonds3

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 6603311) has the molecular formula C11H18ClN3O4S and a molecular weight of 323.80 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID6603311
Molecular FormulaC11H18ClN3O4S
Molecular Weight323.80 g/mol
Exact Mass323.07
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C11H17N3O4S.ClH/c1-7-10(8(2)13-12-7)19(17,18)14-5-3-9(4-6-14)11(15)16;/h9H,3-6H2,1-2H3,(H,12,13)(H,15,16);1H
InChIKeyKEYNWMOPRNZBRR-UHFFFAOYSA-N
XLogP0.93
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride (CID 6603311) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is KEYNWMOPRNZBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S.ClH/c1-7-10(8(2)13-12-7)19(17,18)14-5-3-9(4-6-14)11(15)16;/h9H,3-6H2,1-2H3,(H,12,13)(H,15,16);1H.
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 323.80 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 6603311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).