N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide

C15H15F4N3O3S — CID 19931874

IUPACN,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F4N3O3S/c1-3-21(4-2)14(23)22-8-7-13(20-22)26(24,25)10-5-6-12(16)11(9-10)15(17,18)19/h5-9H,3-4H2,1-2H3
InChIKeyHCDFGRBEPOIKNJ-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.18
Rot. Bonds4

About N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide

N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide (PubChem CID 19931874) has the molecular formula C15H15F4N3O3S and a molecular weight of 393.36 g/mol. Its IUPAC name is N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
PubChem CID19931874
Molecular FormulaC15H15F4N3O3S
Molecular Weight393.36 g/mol
Exact Mass393.08
IUPAC NameN,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F4N3O3S/c1-3-21(4-2)14(23)22-8-7-13(20-22)26(24,25)10-5-6-12(16)11(9-10)15(17,18)19/h5-9H,3-4H2,1-2H3
InChIKeyHCDFGRBEPOIKNJ-UHFFFAOYSA-N
XLogP3.18
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The IUPAC name of N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide (CID 19931874) is N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide is CCN(CC)C(=O)n1ccc(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The InChIKey is HCDFGRBEPOIKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O3S/c1-3-21(4-2)14(23)22-8-7-13(20-22)26(24,25)10-5-6-12(16)11(9-10)15(17,18)19/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide has a molecular weight of 393.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19931874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).