N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H13BrN4O3S — CID 61260502

IUPACN-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C12H13BrN4O3S/c1-6-11(7(2)17-16-6)12(18)15-10-4-3-8(5-9(10)13)21(14,19)20/h3-5H,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyDUJUKYYYEZMNFG-UHFFFAOYSA-N
MW373.23 g/mol
LogP1.69
Rot. Bonds3

About N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61260502) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61260502
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C12H13BrN4O3S/c1-6-11(7(2)17-16-6)12(18)15-10-4-3-8(5-9(10)13)21(14,19)20/h3-5H,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyDUJUKYYYEZMNFG-UHFFFAOYSA-N
XLogP1.69
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 82766572
3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 43582486
N-(5-bromo-2-iodophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366812
3,5-dimethyl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 61260778
4-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
N-(2-bromo-4-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61128605
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61259959
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511171

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61260502) is N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is DUJUKYYYEZMNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c1-6-11(7(2)17-16-6)12(18)15-10-4-3-8(5-9(10)13)21(14,19)20/h3-5H,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61260502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).