4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide

C15H18FN3O3S — CID 19931812

IUPAC4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)c2nn(C(=O)N(C)C)cc2F)c(C)c1
InChIInChI=1S/C15H18FN3O3S/c1-9-6-10(2)13(11(3)7-9)23(21,22)14-12(16)8-19(17-14)15(20)18(4)5/h6-8H,1-5H3
InChIKeyIVRUWZABFZEAPN-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.31
Rot. Bonds2

About 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide

4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide (PubChem CID 19931812) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
PubChem CID19931812
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)c2nn(C(=O)N(C)C)cc2F)c(C)c1
InChIInChI=1S/C15H18FN3O3S/c1-9-6-10(2)13(11(3)7-9)23(21,22)14-12(16)8-19(17-14)15(20)18(4)5/h6-8H,1-5H3
InChIKeyIVRUWZABFZEAPN-UHFFFAOYSA-N
XLogP2.31
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The IUPAC name of 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide (CID 19931812) is 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The canonical SMILES for 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide is Cc1cc(C)c(S(=O)(=O)c2nn(C(=O)N(C)C)cc2F)c(C)c1.
What is the InChIKey of 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The InChIKey is IVRUWZABFZEAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-9-6-10(2)13(11(3)7-9)23(21,22)14-12(16)8-19(17-14)15(20)18(4)5/h6-8H,1-5H3.
What are the key properties of 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19931812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).