N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide

C20H21BrN4O3S — CID 112839290

IUPACN-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H21BrN4O3S/c1-14-19(15(2)25(22-14)18-11-9-17(21)10-12-18)20(26)23-29(27,28)24(3)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyJRAWQFCTFIPMFT-UHFFFAOYSA-N
MW477.38 g/mol
LogP3.36
Rot. Bonds6

About N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 112839290) has the molecular formula C20H21BrN4O3S and a molecular weight of 477.38 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID112839290
Molecular FormulaC20H21BrN4O3S
Molecular Weight477.38 g/mol
Exact Mass476.05
IUPAC NameN-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H21BrN4O3S/c1-14-19(15(2)25(22-14)18-11-9-17(21)10-12-18)20(26)23-29(27,28)24(3)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyJRAWQFCTFIPMFT-UHFFFAOYSA-N
XLogP3.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 31588579
N-(2-anilino-3-methylbutyl)-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55859564
N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide
CID 75415661
1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 55859706
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27781334
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 112792818
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557103

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 112839290) is N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JRAWQFCTFIPMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O3S/c1-14-19(15(2)25(22-14)18-11-9-17(21)10-12-18)20(26)23-29(27,28)24(3)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 477.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 112839290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).