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

C23H23N5O5S — CID 135785472

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)[nH]n2)c(O)c1C
InChIInChI=1S/C23H23N5O5S/c1-12-5-10-18(21(29)13(12)2)19-11-20(26-25-19)22(30)24-16-6-8-17(9-7-16)34(31,32)28-23-14(3)15(4)27-33-23/h5-11,28-29H,1-4H3,(H,24,30)(H,25,26)
InChIKeyQWRDTEMTKAACDZ-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.06
Rot. Bonds6

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135785472) has the molecular formula C23H23N5O5S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135785472
Molecular FormulaC23H23N5O5S
Molecular Weight481.53 g/mol
Exact Mass481.14
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)[nH]n2)c(O)c1C
InChIInChI=1S/C23H23N5O5S/c1-12-5-10-18(21(29)13(12)2)19-11-20(26-25-19)22(30)24-16-6-8-17(9-7-16)34(31,32)28-23-14(3)15(4)27-33-23/h5-11,28-29H,1-4H3,(H,24,30)(H,25,26)
InChIKeyQWRDTEMTKAACDZ-UHFFFAOYSA-N
XLogP4.06
TPSA150.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785458
N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 2036050
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135634703
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 1184444
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784648
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 135785472) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)[nH]n2)c(O)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QWRDTEMTKAACDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S/c1-12-5-10-18(21(29)13(12)2)19-11-20(26-25-19)22(30)24-16-6-8-17(9-7-16)34(31,32)28-23-14(3)15(4)27-33-23/h5-11,28-29H,1-4H3,(H,24,30)(H,25,26).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135785472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).