3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide

C22H20N6O4S — CID 2035533

IUPAC3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)[nH]n2)c1
InChIInChI=1S/C22H20N6O4S/c1-13-3-8-20(29)17(11-13)18-12-19(27-26-18)21(30)25-15-4-6-16(7-5-15)33(31,32)28-22-23-10-9-14(2)24-22/h3-12,29H,1-2H3,(H,25,30)(H,26,27)(H,23,24,28)
InChIKeyDAMDPWXBVBRSKB-UHFFFAOYSA-N
MW464.51 g/mol
LogP3.24
Rot. Bonds6

About 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide

3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 2035533) has the molecular formula C22H20N6O4S and a molecular weight of 464.51 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID2035533
Molecular FormulaC22H20N6O4S
Molecular Weight464.51 g/mol
Exact Mass464.13
IUPAC Name3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)[nH]n2)c1
InChIInChI=1S/C22H20N6O4S/c1-13-3-8-20(29)17(11-13)18-12-19(27-26-18)21(30)25-15-4-6-16(7-5-15)33(31,32)28-22-23-10-9-14(2)24-22/h3-12,29H,1-2H3,(H,25,30)(H,26,27)(H,23,24,28)
InChIKeyDAMDPWXBVBRSKB-UHFFFAOYSA-N
XLogP3.24
TPSA149.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide (CID 2035533) is 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide is Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)[nH]n2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DAMDPWXBVBRSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4S/c1-13-3-8-20(29)17(11-13)18-12-19(27-26-18)21(30)25-15-4-6-16(7-5-15)33(31,32)28-22-23-10-9-14(2)24-22/h3-12,29H,1-2H3,(H,25,30)(H,26,27)(H,23,24,28).
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2035533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).