1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide

C30H26N4O3S — CID 19355610

IUPAC1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C30H26N4O3S/c1-21-12-14-23(15-13-21)27-28(24-16-18-26(19-17-24)38(31,36)37)33-34(20-22-8-4-2-5-9-22)29(27)30(35)32-25-10-6-3-7-11-25/h2-19H,20H2,1H3,(H,32,35)(H2,31,36,37)
InChIKeyQYWCDMMIERLGMZ-UHFFFAOYSA-N
MW522.63 g/mol
LogP5.47
Rot. Bonds7

About 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide

1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide (PubChem CID 19355610) has the molecular formula C30H26N4O3S and a molecular weight of 522.63 g/mol. Its IUPAC name is 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
PubChem CID19355610
Molecular FormulaC30H26N4O3S
Molecular Weight522.63 g/mol
Exact Mass522.17
IUPAC Name1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C30H26N4O3S/c1-21-12-14-23(15-13-21)27-28(24-16-18-26(19-17-24)38(31,36)37)33-34(20-22-8-4-2-5-9-22)29(27)30(35)32-25-10-6-3-7-11-25/h2-19H,20H2,1H3,(H,32,35)(H2,31,36,37)
InChIKeyQYWCDMMIERLGMZ-UHFFFAOYSA-N
XLogP5.47
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide (CID 19355610) is 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide is Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The InChIKey is QYWCDMMIERLGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3S/c1-21-12-14-23(15-13-21)27-28(24-16-18-26(19-17-24)38(31,36)37)33-34(20-22-8-4-2-5-9-22)29(27)30(35)32-25-10-6-3-7-11-25/h2-19H,20H2,1H3,(H,32,35)(H2,31,36,37).
What are the key properties of 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide has a molecular weight of 522.63 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19355610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).