N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C21H24FN5O3S — CID 134026070

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C21H24FN5O3S/c1-14-16(13-23-27(14)19-9-7-6-8-17(19)22)21(28)24-18-12-15(31(29,30)26(4)5)10-11-20(18)25(2)3/h6-13H,1-5H3,(H,24,28)
InChIKeyCUTQTGXGIKNEGX-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 134026070) has the molecular formula C21H24FN5O3S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID134026070
Molecular FormulaC21H24FN5O3S
Molecular Weight445.52 g/mol
Exact Mass445.16
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C21H24FN5O3S/c1-14-16(13-23-27(14)19-9-7-6-8-17(19)22)21(28)24-18-12-15(31(29,30)26(4)5)10-11-20(18)25(2)3/h6-13H,1-5H3,(H,24,28)
InChIKeyCUTQTGXGIKNEGX-UHFFFAOYSA-N
XLogP2.89
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521747
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55531902
5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 30969614
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 33495801
1-(2-fluorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39626083

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 134026070) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cnn1-c1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is CUTQTGXGIKNEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3S/c1-14-16(13-23-27(14)19-9-7-6-8-17(19)22)21(28)24-18-12-15(31(29,30)26(4)5)10-11-20(18)25(2)3/h6-13H,1-5H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 134026070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).