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

C12H15N5O3S — CID 65354656

IUPAC4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N5O3S/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,6,13H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyZGVYYXXVZURJPA-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.42
Rot. Bonds4

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

4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 65354656) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID65354656
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N5O3S/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,6,13H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyZGVYYXXVZURJPA-UHFFFAOYSA-N
XLogP-0.42
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide
CID 3682104
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 65353862
3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 121382999
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160
1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 110699008
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 107229536
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 66335292
2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 112521930
5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 146074874

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide (CID 65354656) is 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZGVYYXXVZURJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/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,6,13H2,1H3,(H,15,18)(H2,14,19,20).
What are the key properties of 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 309.35 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65354656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).