5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

C26H21N5O3S2 — CID 138377449

IUPAC5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H21N5O3S2/c1-18-7-9-19(10-8-18)24-17-23(29-31(24)21-5-3-2-4-6-21)25(32)28-20-11-13-22(14-12-20)36(33,34)30-26-27-15-16-35-26/h2-17H,1H3,(H,27,30)(H,28,32)
InChIKeyLVLWOYGQMDYKRT-UHFFFAOYSA-N
MW515.62 g/mol
LogP5.36
Rot. Bonds7

About 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 138377449) has the molecular formula C26H21N5O3S2 and a molecular weight of 515.62 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID138377449
Molecular FormulaC26H21N5O3S2
Molecular Weight515.62 g/mol
Exact Mass515.11
IUPAC Name5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H21N5O3S2/c1-18-7-9-19(10-8-18)24-17-23(29-31(24)21-5-3-2-4-6-21)25(32)28-20-11-13-22(14-12-20)36(33,34)30-26-27-15-16-35-26/h2-17H,1H3,(H,27,30)(H,28,32)
InChIKeyLVLWOYGQMDYKRT-UHFFFAOYSA-N
XLogP5.36
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

silver [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377461
sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377460
sodium [4-[[5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbonyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377475
5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17013075
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 90474318
5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 18809223
(2S)-3-methyl-2-[[4-[4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]phenyl]sulfonylamino]butanoic acid
CID 59788408
2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (CID 138377449) is 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is LVLWOYGQMDYKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S2/c1-18-7-9-19(10-8-18)24-17-23(29-31(24)21-5-3-2-4-6-21)25(32)28-20-11-13-22(14-12-20)36(33,34)30-26-27-15-16-35-26/h2-17H,1H3,(H,27,30)(H,28,32).
What are the key properties of 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 138377449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).