5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C10H15F3N4O3S — CID 65386698

IUPAC5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C10H15F3N4O3S/c1-5(2)17(4-10(11,12)13)9(18)7-8(21(14,19)20)6(3)15-16-7/h5H,4H2,1-3H3,(H,15,16)(H2,14,19,20)
InChIKeyRKKANZGSNDVANL-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.78
Rot. Bonds4

About 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 65386698) has the molecular formula C10H15F3N4O3S and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID65386698
Molecular FormulaC10H15F3N4O3S
Molecular Weight328.32 g/mol
Exact Mass328.08
IUPAC Name5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C10H15F3N4O3S/c1-5(2)17(4-10(11,12)13)9(18)7-8(21(14,19)20)6(3)15-16-7/h5H,4H2,1-3H3,(H,15,16)(H2,14,19,20)
InChIKeyRKKANZGSNDVANL-UHFFFAOYSA-N
XLogP0.78
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide 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 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 65386698) is 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is RKKANZGSNDVANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3S/c1-5(2)17(4-10(11,12)13)9(18)7-8(21(14,19)20)6(3)15-16-7/h5H,4H2,1-3H3,(H,15,16)(H2,14,19,20).
What are the key properties of 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65386698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).