1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid

C12H20N4O4S — CID 104617476

IUPAC1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCCc1cc(NS(=O)(=O)N2CCC(C(=O)O)CC2)n[nH]1
InChIInChI=1S/C12H20N4O4S/c1-2-3-10-8-11(14-13-10)15-21(19,20)16-6-4-9(5-7-16)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)(H2,13,14,15)
InChIKeyDZVUXOVYYVYSQW-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.82
Rot. Bonds6

About 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid

1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 104617476) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID104617476
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCCc1cc(NS(=O)(=O)N2CCC(C(=O)O)CC2)n[nH]1
InChIInChI=1S/C12H20N4O4S/c1-2-3-10-8-11(14-13-10)15-21(19,20)16-6-4-9(5-7-16)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)(H2,13,14,15)
InChIKeyDZVUXOVYYVYSQW-UHFFFAOYSA-N
XLogP0.82
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 104617476) is 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid is CCCc1cc(NS(=O)(=O)N2CCC(C(=O)O)CC2)n[nH]1.
What is the InChIKey of 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is DZVUXOVYYVYSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-2-3-10-8-11(14-13-10)15-21(19,20)16-6-4-9(5-7-16)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)(H2,13,14,15).
What are the key properties of 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 104617476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).