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

C10H15F3N4O3S — CID 65386313

IUPAC5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1S(N)(=O)=O
InChIInChI=1S/C10H15F3N4O3S/c1-3-4-17(5-10(11,12)13)9(18)7-8(21(14,19)20)6(2)15-16-7/h3-5H2,1-2H3,(H,15,16)(H2,14,19,20)
InChIKeyKCUOLXYJDASCFE-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.78
Rot. Bonds5

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

5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 65386313) has the molecular formula C10H15F3N4O3S and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID65386313
Molecular FormulaC10H15F3N4O3S
Molecular Weight328.32 g/mol
Exact Mass328.08
IUPAC Name5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1S(N)(=O)=O
InChIInChI=1S/C10H15F3N4O3S/c1-3-4-17(5-10(11,12)13)9(18)7-8(21(14,19)20)6(2)15-16-7/h3-5H2,1-2H3,(H,15,16)(H2,14,19,20)
InChIKeyKCUOLXYJDASCFE-UHFFFAOYSA-N
XLogP0.78
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 65386313) is 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KCUOLXYJDASCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3S/c1-3-4-17(5-10(11,12)13)9(18)7-8(21(14,19)20)6(2)15-16-7/h3-5H2,1-2H3,(H,15,16)(H2,14,19,20).
What are the key properties of 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65386313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).