N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

C20H21FN4O3S — CID 78868746

IUPACN-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1
InChIInChI=1S/C20H21FN4O3S/c1-3-24(4-2)29(27,28)16-11-9-15(10-12-16)22-20(26)18-13-14-25(23-18)19-8-6-5-7-17(19)21/h5-14H,3-4H2,1-2H3,(H,22,26)
InChIKeyLTJQVMWHQOEIEK-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.29
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 78868746) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID78868746
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1
InChIInChI=1S/C20H21FN4O3S/c1-3-24(4-2)29(27,28)16-11-9-15(10-12-16)22-20(26)18-13-14-25(23-18)19-8-6-5-7-17(19)21/h5-14H,3-4H2,1-2H3,(H,22,26)
InChIKeyLTJQVMWHQOEIEK-UHFFFAOYSA-N
XLogP3.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
N-[3-[(dimethylamino)methyl]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 86980854
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60610195
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
CID 110910871
1-(2-fluorophenyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyrazole-3-carboxamide
CID 99586713
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 78869822
1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
CID 86980706
1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide
CID 75466680
N-(4-chloro-3-nitrophenyl)sulfonyl-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 78894647

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide (CID 78868746) is N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is LTJQVMWHQOEIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-3-24(4-2)29(27,28)16-11-9-15(10-12-16)22-20(26)18-13-14-25(23-18)19-8-6-5-7-17(19)21/h5-14H,3-4H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 78868746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).