N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C18H17N5O4S — CID 108793466

IUPACN-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1
InChIInChI=1S/C18H17N5O4S/c1-12-16(11-20-23(12)17-5-3-4-10-19-17)18(25)21-14-6-8-15(9-7-14)28(26,27)22-13(2)24/h3-11H,1-2H3,(H,21,25)(H,22,24)
InChIKeyZOPSGSKALHWJAR-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.65
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 108793466) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID108793466
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1
InChIInChI=1S/C18H17N5O4S/c1-12-16(11-20-23(12)17-5-3-4-10-19-17)18(25)21-14-6-8-15(9-7-14)28(26,27)22-13(2)24/h3-11H,1-2H3,(H,21,25)(H,22,24)
InChIKeyZOPSGSKALHWJAR-UHFFFAOYSA-N
XLogP1.65
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-1-pyridin-2-yl-N-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 24825177
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108805329
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108744669
5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 108789024
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 108793466) is N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is ZOPSGSKALHWJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-12-16(11-20-23(12)17-5-3-4-10-19-17)18(25)21-14-6-8-15(9-7-14)28(26,27)22-13(2)24/h3-11H,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108793466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).