3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

C17H16N4O3S — CID 57411991

IUPAC3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1
InChIInChI=1S/C17H16N4O3S/c1-11-2-4-12(5-3-11)16-15(17(18)22)10-21(20-16)13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H2,18,22)(H2,19,23,24)
InChIKeyKQNLJPQBNLBZFU-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.59
Rot. Bonds4

About 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide (PubChem CID 57411991) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
PubChem CID57411991
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1
InChIInChI=1S/C17H16N4O3S/c1-11-2-4-12(5-3-11)16-15(17(18)22)10-21(20-16)13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H2,18,22)(H2,19,23,24)
InChIKeyKQNLJPQBNLBZFU-UHFFFAOYSA-N
XLogP1.59
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide (CID 57411991) is 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The InChIKey is KQNLJPQBNLBZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11-2-4-12(5-3-11)16-15(17(18)22)10-21(20-16)13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H2,18,22)(H2,19,23,24).
What are the key properties of 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57411991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).