1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid

C14H14F3N3O4S — CID 166396425

IUPAC1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid
SMILESCn1ncc(S(=O)(=O)NC(Cc2ccccc2)C(F)(F)F)c1C(=O)O
InChIInChI=1S/C14H14F3N3O4S/c1-20-12(13(21)22)10(8-18-20)25(23,24)19-11(14(15,16)17)7-9-5-3-2-4-6-9/h2-6,8,11,19H,7H2,1H3,(H,21,22)
InChIKeyAWTQZGHZTKAHDD-UHFFFAOYSA-N
MW377.34 g/mol
LogP1.57
Rot. Bonds6

About 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid

1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid (PubChem CID 166396425) has the molecular formula C14H14F3N3O4S and a molecular weight of 377.34 g/mol. Its IUPAC name is 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid
PubChem CID166396425
Molecular FormulaC14H14F3N3O4S
Molecular Weight377.34 g/mol
Exact Mass377.07
IUPAC Name1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid
SMILESCn1ncc(S(=O)(=O)NC(Cc2ccccc2)C(F)(F)F)c1C(=O)O
InChIInChI=1S/C14H14F3N3O4S/c1-20-12(13(21)22)10(8-18-20)25(23,24)19-11(14(15,16)17)7-9-5-3-2-4-6-9/h2-6,8,11,19H,7H2,1H3,(H,21,22)
InChIKeyAWTQZGHZTKAHDD-UHFFFAOYSA-N
XLogP1.57
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid (CID 166396425) is 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid is Cn1ncc(S(=O)(=O)NC(Cc2ccccc2)C(F)(F)F)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid?
The InChIKey is AWTQZGHZTKAHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4S/c1-20-12(13(21)22)10(8-18-20)25(23,24)19-11(14(15,16)17)7-9-5-3-2-4-6-9/h2-6,8,11,19H,7H2,1H3,(H,21,22).
What are the key properties of 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid?
1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid has a molecular weight of 377.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfamoyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 166396425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).