5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H19N3O4S — CID 60950521

IUPAC5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC(C)CN(C(C)C)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H19N3O4S/c1-7(2)6-14(8(3)4)19(17,18)10-9(11(15)16)5-12-13-10/h5,7-8H,6H2,1-4H3,(H,12,13)(H,15,16)
InChIKeyGCVJIPSYMUJIEW-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.16
Rot. Bonds6

About 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60950521) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60950521
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC(C)CN(C(C)C)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H19N3O4S/c1-7(2)6-14(8(3)4)19(17,18)10-9(11(15)16)5-12-13-10/h5,7-8H,6H2,1-4H3,(H,12,13)(H,15,16)
InChIKeyGCVJIPSYMUJIEW-UHFFFAOYSA-N
XLogP1.16
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-
CID 3075398
5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933972
5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 55011616
5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 55175721
5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912418
5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60917879
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950211
5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950219
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950783
5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951442
5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951717
5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61605845

Frequently Asked Questions

What is the IUPAC name of 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60950521) is 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CC(C)CN(C(C)C)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is GCVJIPSYMUJIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-7(2)6-14(8(3)4)19(17,18)10-9(11(15)16)5-12-13-10/h5,7-8H,6H2,1-4H3,(H,12,13)(H,15,16).
What are the key properties of 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).