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

C9H13F3N4O4S — CID 65386761

IUPAC5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCOCC(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C9H13F3N4O4S/c1-5-7(21(13,18)19)6(16-15-5)8(17)14-2-3-20-4-9(10,11)12/h2-4H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyUOMJEVGLMHCYIW-UHFFFAOYSA-N
MW330.29 g/mol
LogP-0.33
Rot. Bonds6

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

5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 65386761) has the molecular formula C9H13F3N4O4S and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID65386761
Molecular FormulaC9H13F3N4O4S
Molecular Weight330.29 g/mol
Exact Mass330.06
IUPAC Name5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCOCC(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C9H13F3N4O4S/c1-5-7(21(13,18)19)6(16-15-5)8(17)14-2-3-20-4-9(10,11)12/h2-4H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyUOMJEVGLMHCYIW-UHFFFAOYSA-N
XLogP-0.33
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387608
N-(2-ethoxyethyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387027
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034477
5-methyl-3-[2-(3-methylbutoxy)ethylcarbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65398721
5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 106219411
N-(2-ethoxyethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386835
5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 65387330
N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386491
5-methyl-N-(2-methylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387504
5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388559
4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 65386759

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide (CID 65386761) is 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCOCC(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UOMJEVGLMHCYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O4S/c1-5-7(21(13,18)19)6(16-15-5)8(17)14-2-3-20-4-9(10,11)12/h2-4H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide?
5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65386761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).