5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

C9H13F3N4O3S — CID 65387330

IUPAC5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCC(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C9H13F3N4O3S/c1-2-5-7(20(13,18)19)6(16-15-5)8(17)14-4-3-9(10,11)12/h2-4H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyNPLNCRWGQHRUBJ-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.30
Rot. Bonds5

About 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (PubChem CID 65387330) has the molecular formula C9H13F3N4O3S and a molecular weight of 314.29 g/mol. Its IUPAC name is 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
PubChem CID65387330
Molecular FormulaC9H13F3N4O3S
Molecular Weight314.29 g/mol
Exact Mass314.07
IUPAC Name5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCC(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C9H13F3N4O3S/c1-2-5-7(20(13,18)19)6(16-15-5)8(17)14-4-3-9(10,11)12/h2-4H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyNPLNCRWGQHRUBJ-UHFFFAOYSA-N
XLogP0.30
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269
N-(2-ethoxyethyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387027
5-ethyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375595
N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465781
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389
N-ethyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373266
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381828
N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387817
N-(2-ethoxyethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386835
5-ethyl-N-(oxolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 80715628

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (CID 65387330) is 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCC(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NPLNCRWGQHRUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3S/c1-2-5-7(20(13,18)19)6(16-15-5)8(17)14-4-3-9(10,11)12/h2-4H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 314.29 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65387330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).