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

C15H15ClF3N3O3S — CID 19931831

IUPAC4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15ClF3N3O3S/c1-3-21(4-2)14(23)22-9-12(16)13(20-22)26(24,25)11-7-5-6-10(8-11)15(17,18)19/h5-9H,3-4H2,1-2H3
InChIKeyQDAHUYRWZCUVNV-UHFFFAOYSA-N
MW409.82 g/mol
LogP3.70
Rot. Bonds4

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

4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide (PubChem CID 19931831) has the molecular formula C15H15ClF3N3O3S and a molecular weight of 409.82 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
PubChem CID19931831
Molecular FormulaC15H15ClF3N3O3S
Molecular Weight409.82 g/mol
Exact Mass409.05
IUPAC Name4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15ClF3N3O3S/c1-3-21(4-2)14(23)22-9-12(16)13(20-22)26(24,25)11-7-5-6-10(8-11)15(17,18)19/h5-9H,3-4H2,1-2H3
InChIKeyQDAHUYRWZCUVNV-UHFFFAOYSA-N
XLogP3.70
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide
CID 19931792
3-(2,6-dimethylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19931796
N,N-diethyl-4-fluoro-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19931798
N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide
CID 19931799
4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931800
4-bromo-3-(2,6-difluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19931803
4-bromo-N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfanylpyrazole-1-carboxamide
CID 19931807
4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931812
4-chloro-N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19931821
3-(2-chlorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19931823
N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931829
4-bromo-3-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19931834

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide (CID 19931831) is 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide is CCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
The InChIKey is QDAHUYRWZCUVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O3S/c1-3-21(4-2)14(23)22-9-12(16)13(20-22)26(24,25)11-7-5-6-10(8-11)15(17,18)19/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide?
4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide has a molecular weight of 409.82 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19931831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).