N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide

C18H21N5O4S — CID 4518274

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C
InChIInChI=1S/C18H21N5O4S/c1-5-23-13(4)16(10-19-23)17(24)20-14-6-8-15(9-7-14)28(25,26)22-18-11(2)12(3)21-27-18/h6-10,22H,5H2,1-4H3,(H,20,24)
InChIKeyMRQZNKIFTOLMOU-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.87
Rot. Bonds6

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 4518274) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID4518274
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C
InChIInChI=1S/C18H21N5O4S/c1-5-23-13(4)16(10-19-23)17(24)20-14-6-8-15(9-7-14)28(25,26)22-18-11(2)12(3)21-27-18/h6-10,22H,5H2,1-4H3,(H,20,24)
InChIKeyMRQZNKIFTOLMOU-UHFFFAOYSA-N
XLogP2.87
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide (CID 4518274) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is MRQZNKIFTOLMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-5-23-13(4)16(10-19-23)17(24)20-14-6-8-15(9-7-14)28(25,26)22-18-11(2)12(3)21-27-18/h6-10,22H,5H2,1-4H3,(H,20,24).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 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]-1-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4518274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).