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

C8H11F3N4O3S — CID 65388757

IUPACN,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H11F3N4O3S/c1-4-6(19(12,17)18)5(14-13-4)7(16)15(2)3-8(9,10)11/h3H2,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyVWAJSVNPCSYSAT-UHFFFAOYSA-N
MW300.26 g/mol
LogP-0.00
Rot. Bonds3

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

N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 65388757) has the molecular formula C8H11F3N4O3S and a molecular weight of 300.26 g/mol. Its IUPAC name is N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID65388757
Molecular FormulaC8H11F3N4O3S
Molecular Weight300.26 g/mol
Exact Mass300.05
IUPAC NameN,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H11F3N4O3S/c1-4-6(19(12,17)18)5(14-13-4)7(16)15(2)3-8(9,10)11/h3H2,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyVWAJSVNPCSYSAT-UHFFFAOYSA-N
XLogP-0.00
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 65388757) is N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)CC(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is VWAJSVNPCSYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O3S/c1-4-6(19(12,17)18)5(14-13-4)7(16)15(2)3-8(9,10)11/h3H2,1-2H3,(H,13,14)(H2,12,17,18).
What are the key properties of N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 300.26 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65388757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).