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

C15H16F3N3O3S — CID 19932074

IUPACN,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H16F3N3O3S/c1-3-20(4-2)14(22)21-9-8-13(19-21)25(23,24)12-7-5-6-11(10-12)15(16,17)18/h5-10H,3-4H2,1-2H3
InChIKeyXSZDPGFINOPBBW-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.04
Rot. Bonds4

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

N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide (PubChem CID 19932074) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
PubChem CID19932074
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H16F3N3O3S/c1-3-20(4-2)14(22)21-9-8-13(19-21)25(23,24)12-7-5-6-11(10-12)15(16,17)18/h5-10H,3-4H2,1-2H3
InChIKeyXSZDPGFINOPBBW-UHFFFAOYSA-N
XLogP3.04
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 19932209
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CID 19932088
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
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4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
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N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
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6-[3-(trifluoromethyl)phenyl]sulfonylhexan-3-one
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(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
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4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine
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N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
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ethyl 3-[3-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 43174233
(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493354

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The IUPAC name of N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide (CID 19932074) is N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide is CCN(CC)C(=O)n1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The InChIKey is XSZDPGFINOPBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-3-20(4-2)14(22)21-9-8-13(19-21)25(23,24)12-7-5-6-11(10-12)15(16,17)18/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide has a molecular weight of 375.37 g/mol, XLogP of 3.04, 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-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19932074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).