4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide

C12H13BrN4O3S — CID 19579888

IUPAC4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H13BrN4O3S/c1-17-7-10(13)11(16-17)12(18)15-6-8-2-4-9(5-3-8)21(14,19)20/h2-5,7H,6H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeySTJKFEQZUBTCSD-UHFFFAOYSA-N
MW373.23 g/mol
LogP0.76
Rot. Bonds4

About 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide

4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 19579888) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID19579888
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC Name4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H13BrN4O3S/c1-17-7-10(13)11(16-17)12(18)15-6-8-2-4-9(5-3-8)21(14,19)20/h2-5,7H,6H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeySTJKFEQZUBTCSD-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-bromo-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 973641
4-bromo-1-ethyl-N-(1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 2961840
4-bromo-1-ethyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 4442561
N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamide
CID 9549671
2-methyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]pyrazole-3-carboxamide
CID 92558146
1-[4-(4-Bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
CID 13224093
4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 19267272
1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34644882
N-benzyl-4-bromo-1-ethylpyrazole-3-carboxamide
CID 35530712
N-cyclopropyl-4-({[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}sulfonyl)benzamide
CID 70764346
N-cyclopropyl-4-({[1-(1-methyl-1H-pyrazol-5-yl)propyl]amino}sulfonyl)benzamide
CID 70767134
N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]-4-[(propylamino)sulfonyl]benzamide
CID 70783230

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide (CID 19579888) is 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is STJKFEQZUBTCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c1-17-7-10(13)11(16-17)12(18)15-6-8-2-4-9(5-3-8)21(14,19)20/h2-5,7H,6H2,1H3,(H,15,18)(H2,14,19,20).
What are the key properties of 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19579888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).