2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid

C13H21N3O4S — CID 43613863

IUPAC2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCN(C1CCCCCC1)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C13H21N3O4S/c1-15(11-6-4-2-3-5-7-11)21(19,20)12-8-14-16(9-12)10-13(17)18/h8-9,11H,2-7,10H2,1H3,(H,17,18)
InChIKeyXYFHILRKQXPFOY-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.31
Rot. Bonds5

About 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43613863) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43613863
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCN(C1CCCCCC1)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C13H21N3O4S/c1-15(11-6-4-2-3-5-7-11)21(19,20)12-8-14-16(9-12)10-13(17)18/h8-9,11H,2-7,10H2,1H3,(H,17,18)
InChIKeyXYFHILRKQXPFOY-UHFFFAOYSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43613863) is 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid is CN(C1CCCCCC1)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is XYFHILRKQXPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15(11-6-4-2-3-5-7-11)21(19,20)12-8-14-16(9-12)10-13(17)18/h8-9,11H,2-7,10H2,1H3,(H,17,18).
What are the key properties of 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 315.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43613863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).