4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide

C11H16N6O3S — CID 79529175

IUPAC4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCc2cnn(C)c2N)cc1C(N)=O
InChIInChI=1S/C11H16N6O3S/c1-16-6-8(3-9(16)11(13)18)21(19,20)15-5-7-4-14-17(2)10(7)12/h3-4,6,15H,5,12H2,1-2H3,(H2,13,18)
InChIKeyZAEMRAYOBXJDIV-UHFFFAOYSA-N
MW312.36 g/mol
LogP-1.08
Rot. Bonds5

About 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide

4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 79529175) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID79529175
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCc2cnn(C)c2N)cc1C(N)=O
InChIInChI=1S/C11H16N6O3S/c1-16-6-8(3-9(16)11(13)18)21(19,20)15-5-7-4-14-17(2)10(7)12/h3-4,6,15H,5,12H2,1-2H3,(H2,13,18)
InChIKeyZAEMRAYOBXJDIV-UHFFFAOYSA-N
XLogP-1.08
TPSA138.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 79523433
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 79524389
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 79524212
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 114383910
4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide
CID 79529334
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide (CID 79529175) is 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NCc2cnn(C)c2N)cc1C(N)=O.
What is the InChIKey of 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ZAEMRAYOBXJDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-16-6-8(3-9(16)11(13)18)21(19,20)15-5-7-4-14-17(2)10(7)12/h3-4,6,15H,5,12H2,1-2H3,(H2,13,18).
What are the key properties of 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 312.36 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 79529175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).