N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide

C20H21BrN4O4S — CID 50751783

IUPACN-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)[nH]n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21BrN4O4S/c1-12-9-14(6-7-15(12)21)22-20(26)17-11-16(23-24-17)13-5-8-18(29-4)19(10-13)30(27,28)25(2)3/h5-11H,1-4H3,(H,22,26)(H,23,24)
InChIKeyINYYUBCPWKCANQ-UHFFFAOYSA-N
MW493.38 g/mol
LogP3.66
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide

N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 50751783) has the molecular formula C20H21BrN4O4S and a molecular weight of 493.38 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
PubChem CID50751783
Molecular FormulaC20H21BrN4O4S
Molecular Weight493.38 g/mol
Exact Mass492.05
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)[nH]n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21BrN4O4S/c1-12-9-14(6-7-15(12)21)22-20(26)17-11-16(23-24-17)13-5-8-18(29-4)19(10-13)30(27,28)25(2)3/h5-11H,1-4H3,(H,22,26)(H,23,24)
InChIKeyINYYUBCPWKCANQ-UHFFFAOYSA-N
XLogP3.66
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 50751814
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 50751687
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331
N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 50751786
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
CID 9106525
N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 4884058
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751820
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 50751661

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide (CID 50751783) is N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)[nH]n2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is INYYUBCPWKCANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O4S/c1-12-9-14(6-7-15(12)21)22-20(26)17-11-16(23-24-17)13-5-8-18(29-4)19(10-13)30(27,28)25(2)3/h5-11H,1-4H3,(H,22,26)(H,23,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 493.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).