N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide

C24H24N6O4S — CID 135634703

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135634703) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
• PubChem CID: 135634703
• Molecular Formula: C24H24N6O4S
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.16
• IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
• SMILES: Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)[nH]n2)c1
• InChI: InChI=1S/C24H24N6O4S/c1-13-9-14(2)22(31)19(10-13)20-12-21(29-28-20)23(32)27-17-5-7-18(8-6-17)35(33,34)30-24-25-15(3)11-16(4)26-24/h5-12,31H,1-4H3,(H,27,32)(H,28,29)(H,25,26,30)
• InChIKey: SQONPAFOJOWXTQ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 149.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 135634703) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)[nH]n2)c1.

What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?

The InChIKey is SQONPAFOJOWXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-13-9-14(2)22(31)19(10-13)20-12-21(29-28-20)23(32)27-17-5-7-18(8-6-17)35(33,34)30-24-25-15(3)11-16(4)26-24/h5-12,31H,1-4H3,(H,27,32)(H,28,29)(H,25,26,30).

What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135634703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).