2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide

C54H42BrN7O4S — CID 157118926

IUPAC2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)n(-c2ccc3ccccc3c2)n1.Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C27H21BrN4O3S.C27H21N3O/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35;1-19-17-26(30(29-19)25-16-13-21-9-5-6-10-23(21)18-25)27(31)28-24-14-11-22(12-15-24)20-7-3-2-4-8-20/h2-16H,1H3,(H,30,33)(H2,29,34,35);2-18H,1H3,(H,28,31)
InChIKeyAHSQLAFXDHBAGX-UHFFFAOYSA-N
MW964.95 g/mol
LogP11.92
Rot. Bonds9

About 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide

2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide (PubChem CID 157118926) has the molecular formula C54H42BrN7O4S and a molecular weight of 964.95 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
PubChem CID157118926
Molecular FormulaC54H42BrN7O4S
Molecular Weight964.95 g/mol
Exact Mass963.22
IUPAC Name2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)n(-c2ccc3ccccc3c2)n1.Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C27H21BrN4O3S.C27H21N3O/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35;1-19-17-26(30(29-19)25-16-13-21-9-5-6-10-23(21)18-25)27(31)28-24-14-11-22(12-15-24)20-7-3-2-4-8-20/h2-16H,1H3,(H,30,33)(H2,29,34,35);2-18H,1H3,(H,28,31)
InChIKeyAHSQLAFXDHBAGX-UHFFFAOYSA-N
XLogP11.92
TPSA154.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.95
LogP ≤ 511.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
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CID 85372060
5-methyl-2-[3-(methylsulfinimidoyl)phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10896308
2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 21366647
N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10276414
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CID 10311500
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CID 11477889
1-(6-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
CID 21366491
N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-5-methyl-2-(3-methylsulfanylphenyl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide (CID 157118926) is 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)n(-c2ccc3ccccc3c2)n1.Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The InChIKey is AHSQLAFXDHBAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN4O3S.C27H21N3O/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35;1-19-17-26(30(29-19)25-16-13-21-9-5-6-10-23(21)18-25)27(31)28-24-14-11-22(12-15-24)20-7-3-2-4-8-20/h2-16H,1H3,(H,30,33)(H2,29,34,35);2-18H,1H3,(H,28,31).
What are the key properties of 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide?
2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide has a molecular weight of 964.95 g/mol, XLogP of 11.92, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 157118926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).