4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C12H13BrN4O3S — CID 35324833

IUPAC4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H13BrN4O3S/c1-2-17-7-10(13)11(16-17)12(18)15-8-3-5-9(6-4-8)21(14,19)20/h3-7H,2H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyONXSZZDYSGALCI-UHFFFAOYSA-N
MW373.23 g/mol
LogP1.57
Rot. Bonds4

About 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 35324833) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID35324833
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC Name4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H13BrN4O3S/c1-2-17-7-10(13)11(16-17)12(18)15-8-3-5-9(6-4-8)21(14,19)20/h3-7H,2H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyONXSZZDYSGALCI-UHFFFAOYSA-N
XLogP1.57
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19267490
4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide
CID 35534221
4-bromo-1-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 35535212
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
dimethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19267253
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
4-bromo-1-ethyl-N-[(4-methoxyphenyl)carbamothioyl]pyrazole-3-carboxamide
CID 3435911
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19284270

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 35324833) is 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is ONXSZZDYSGALCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c1-2-17-7-10(13)11(16-17)12(18)15-8-3-5-9(6-4-8)21(14,19)20/h3-7H,2H2,1H3,(H,15,18)(H2,14,19,20).
What are the key properties of 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35324833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).