N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C22H25FN4O4S — CID 26421889

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H25FN4O4S/c1-6-31-19-12-9-17(13-20(19)32(29,30)26(4)5)24-22(28)21-14(2)25-27(15(21)3)18-10-7-16(23)8-11-18/h7-13H,6H2,1-5H3,(H,24,28)
InChIKeyZQIVNDNEJKYGMP-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.53
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 26421889) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID26421889
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H25FN4O4S/c1-6-31-19-12-9-17(13-20(19)32(29,30)26(4)5)24-22(28)21-14(2)25-27(15(21)3)18-10-7-16(23)8-11-18/h7-13H,6H2,1-5H3,(H,24,28)
InChIKeyZQIVNDNEJKYGMP-UHFFFAOYSA-N
XLogP3.53
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60593095
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756894
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55961636
ethyl 5-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17414941
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 167866814
propan-2-yl 5-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26816678
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26421741

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 26421889) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ZQIVNDNEJKYGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-6-31-19-12-9-17(13-20(19)32(29,30)26(4)5)24-22(28)21-14(2)25-27(15(21)3)18-10-7-16(23)8-11-18/h7-13H,6H2,1-5H3,(H,24,28).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 26421889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).