5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H14F3N3O4S — CID 60950219

IUPAC5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H14F3N3O4S/c1-6(2)4-16(5-10(11,12)13)21(19,20)8-7(9(17)18)3-14-15-8/h3,6H,4-5H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyVWAOKBSSHRBIFK-UHFFFAOYSA-N
MW329.30 g/mol
LogP1.32
Rot. Bonds6

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

5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60950219) has the molecular formula C10H14F3N3O4S and a molecular weight of 329.30 g/mol. Its IUPAC name is 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60950219
Molecular FormulaC10H14F3N3O4S
Molecular Weight329.30 g/mol
Exact Mass329.07
IUPAC Name5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H14F3N3O4S/c1-6(2)4-16(5-10(11,12)13)21(19,20)8-7(9(17)18)3-14-15-8/h3,6H,4-5H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyVWAOKBSSHRBIFK-UHFFFAOYSA-N
XLogP1.32
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60950219) is 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is VWAOKBSSHRBIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O4S/c1-6(2)4-16(5-10(11,12)13)21(19,20)8-7(9(17)18)3-14-15-8/h3,6H,4-5H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 329.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60950219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).