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

C9H13F3N4O3S — CID 65387845

IUPACN-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1S(N)(=O)=O
InChIInChI=1S/C9H13F3N4O3S/c1-3-16(4-9(10,11)12)8(17)6-7(20(13,18)19)5(2)14-15-6/h3-4H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeyMYEDYIZYUOWLDT-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.39
Rot. Bonds4

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

N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 65387845) has the molecular formula C9H13F3N4O3S and a molecular weight of 314.29 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID65387845
Molecular FormulaC9H13F3N4O3S
Molecular Weight314.29 g/mol
Exact Mass314.07
IUPAC NameN-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1S(N)(=O)=O
InChIInChI=1S/C9H13F3N4O3S/c1-3-16(4-9(10,11)12)8(17)6-7(20(13,18)19)5(2)14-15-6/h3-4H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeyMYEDYIZYUOWLDT-UHFFFAOYSA-N
XLogP0.39
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 65387845) is N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1S(N)(=O)=O.
What is the InChIKey of N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MYEDYIZYUOWLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3S/c1-3-16(4-9(10,11)12)8(17)6-7(20(13,18)19)5(2)14-15-6/h3-4H2,1-2H3,(H,14,15)(H2,13,18,19).
What are the key properties of N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 314.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65387845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).