1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide

C18H17BrN4O3S — CID 55851572

IUPAC1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1
InChIInChI=1S/C18H17BrN4O3S/c1-20-27(25,26)17-4-2-3-13(9-17)10-21-18(24)14-11-22-23(12-14)16-7-5-15(19)6-8-16/h2-9,11-12,20H,10H2,1H3,(H,21,24)
InChIKeyRMRWDMDQGWCBNH-UHFFFAOYSA-N
MW449.33 g/mol
LogP2.47
Rot. Bonds6

About 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide

1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55851572) has the molecular formula C18H17BrN4O3S and a molecular weight of 449.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55851572
Molecular FormulaC18H17BrN4O3S
Molecular Weight449.33 g/mol
Exact Mass448.02
IUPAC Name1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1
InChIInChI=1S/C18H17BrN4O3S/c1-20-27(25,26)17-4-2-3-13(9-17)10-21-18(24)14-11-22-23(12-14)16-7-5-15(19)6-8-16/h2-9,11-12,20H,10H2,1H3,(H,21,24)
InChIKeyRMRWDMDQGWCBNH-UHFFFAOYSA-N
XLogP2.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
CID 50772799
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
CID 55628846
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088
1,3-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34644381
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
CID 53499866
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 55773919
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119498873

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide (CID 55851572) is 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is RMRWDMDQGWCBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3S/c1-20-27(25,26)17-4-2-3-13(9-17)10-21-18(24)14-11-22-23(12-14)16-7-5-15(19)6-8-16/h2-9,11-12,20H,10H2,1H3,(H,21,24).
What are the key properties of 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 449.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55851572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).