2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C18H18N6O3S — CID 141001791

IUPAC2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(C)cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H18N6O3S/c1-11-10-16(24(23-11)14-6-2-12(3-7-14)17(19)20)18(25)22-13-4-8-15(9-5-13)28(21,26)27/h2-10H,1H3,(H3,19,20)(H,22,25)(H2,21,26,27)
InChIKeyVINCAILVAZNSFK-UHFFFAOYSA-N
MW398.45 g/mol
LogP1.36
Rot. Bonds5

About 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 141001791) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID141001791
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC Name2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(C)cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H18N6O3S/c1-11-10-16(24(23-11)14-6-2-12(3-7-14)17(19)20)18(25)22-13-4-8-15(9-5-13)28(21,26)27/h2-10H,1H3,(H3,19,20)(H,22,25)(H2,21,26,27)
InChIKeyVINCAILVAZNSFK-UHFFFAOYSA-N
XLogP1.36
TPSA156.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-carbamimidoylphenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 18549495
2-(3-carbamimidoylphenyl)-N-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 54231096
2-(3-carbamimidoylphenyl)-N-[4-(diethylamino)phenyl]-5-methylpyrazole-3-carboxamide
CID 18549278
N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-5-methyl-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595343
5-methyl-N-[4-(piperidine-1-carboximidoyl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595110
5-methyl-2-[3-(methylsulfinimidoyl)phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10896308
2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)cyclohexa-1,5-dien-1-yl]pyrazole-3-carboxamide
CID 89364500
2-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 85372060
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366667
N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595342
N-[4-(benzimidazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(3-methyl-1,2,4-triazol-1-yl)pyrazole-5-carboxamide
CID 23646203

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 141001791) is 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is [H]/N=C(\N)c1ccc(-n2nc(C)cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is VINCAILVAZNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-11-10-16(24(23-11)14-6-2-12(3-7-14)17(19)20)18(25)22-13-4-8-15(9-5-13)28(21,26)27/h2-10H,1H3,(H3,19,20)(H,22,25)(H2,21,26,27).
What are the key properties of 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamimidoylphenyl)-5-methyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 141001791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).