2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C23H21N5O3S — CID 10906426

IUPAC2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2N)n1
InChIInChI=1S/C23H21N5O3S/c1-15-14-21(28(27-15)20-8-4-3-7-19(20)24)23(29)26-17-12-10-16(11-13-17)18-6-2-5-9-22(18)32(25,30)31/h2-14H,24H2,1H3,(H,26,29)(H2,25,30,31)
InChIKeyYWMITEJDOSKUIO-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 10906426) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID10906426
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2N)n1
InChIInChI=1S/C23H21N5O3S/c1-15-14-21(28(27-15)20-8-4-3-7-19(20)24)23(29)26-17-12-10-16(11-13-17)18-6-2-5-9-22(18)32(25,30)31/h2-14H,24H2,1H3,(H,26,29)(H2,25,30,31)
InChIKeyYWMITEJDOSKUIO-UHFFFAOYSA-N
XLogP3.33
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 10906426) is 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2N)n1.
What is the InChIKey of 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is YWMITEJDOSKUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-15-14-21(28(27-15)20-8-4-3-7-19(20)24)23(29)26-17-12-10-16(11-13-17)18-6-2-5-9-22(18)32(25,30)31/h2-14H,24H2,1H3,(H,26,29)(H2,25,30,31).
What are the key properties of 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 10906426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).