4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide

C10H12BrN5O3S — CID 61131380

IUPAC4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2cc(Br)cn2C)n1
InChIInChI=1S/C10H12BrN5O3S/c1-15-4-6(11)3-7(15)10(17)13-9-8(20(12,18)19)5-16(2)14-9/h3-5H,1-2H3,(H2,12,18,19)(H,13,14,17)
InChIKeyQQIVXLXHKTWSPV-UHFFFAOYSA-N
MW362.21 g/mol
LogP0.42
Rot. Bonds3

About 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide (PubChem CID 61131380) has the molecular formula C10H12BrN5O3S and a molecular weight of 362.21 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide
PubChem CID61131380
Molecular FormulaC10H12BrN5O3S
Molecular Weight362.21 g/mol
Exact Mass360.98
IUPAC Name4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2cc(Br)cn2C)n1
InChIInChI=1S/C10H12BrN5O3S/c1-15-4-6(11)3-7(15)10(17)13-9-8(20(12,18)19)5-16(2)14-9/h3-5H,1-2H3,(H2,12,18,19)(H,13,14,17)
InChIKeyQQIVXLXHKTWSPV-UHFFFAOYSA-N
XLogP0.42
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide
CID 61128864
2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 81111625
3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61131914
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
1,5-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-3-carboxamide
CID 114219136
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 61131275
2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129233
2,4-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129231
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 106753989
2-chloro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 106689384

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide (CID 61131380) is 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide is Cn1cc(S(N)(=O)=O)c(NC(=O)c2cc(Br)cn2C)n1.
What is the InChIKey of 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is QQIVXLXHKTWSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O3S/c1-15-4-6(11)3-7(15)10(17)13-9-8(20(12,18)19)5-16(2)14-9/h3-5H,1-2H3,(H2,12,18,19)(H,13,14,17).
What are the key properties of 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 362.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61131380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).