4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide

C14H12BrN5O3S2 — CID 19474994

IUPAC4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H12BrN5O3S2/c1-20-12(11(15)8-17-20)13(21)18-9-2-4-10(5-3-9)25(22,23)19-14-16-6-7-24-14/h2-8H,1H3,(H,16,19)(H,18,21)
InChIKeyCBOXRHGRXHQNHK-UHFFFAOYSA-N
MW442.32 g/mol
LogP2.69
Rot. Bonds5

About 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide

4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide (PubChem CID 19474994) has the molecular formula C14H12BrN5O3S2 and a molecular weight of 442.32 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
PubChem CID19474994
Molecular FormulaC14H12BrN5O3S2
Molecular Weight442.32 g/mol
Exact Mass440.96
IUPAC Name4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H12BrN5O3S2/c1-20-12(11(15)8-17-20)13(21)18-9-2-4-10(5-3-9)25(22,23)19-14-16-6-7-24-14/h2-8H,1H3,(H,16,19)(H,18,21)
InChIKeyCBOXRHGRXHQNHK-UHFFFAOYSA-N
XLogP2.69
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19475273
1-ethyl-4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
CID 19476326
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide
CID 25048191
3-(4-iodo-5-methylpyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19551980
3-(4-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19555438
3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2225489
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
3-bromo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3376197

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide (CID 19474994) is 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is CBOXRHGRXHQNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O3S2/c1-20-12(11(15)8-17-20)13(21)18-9-2-4-10(5-3-9)25(22,23)19-14-16-6-7-24-14/h2-8H,1H3,(H,16,19)(H,18,21).
What are the key properties of 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide?
4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19474994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).