N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19N5O4S — CID 30838933

IUPACN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3O)c2n1
InChIInChI=1S/C17H19N5O4S/c1-10-7-11(2)22-16(19-10)13(9-18-22)17(24)20-14-8-12(5-6-15(14)23)27(25,26)21(3)4/h5-9,23H,1-4H3,(H,20,24)
InChIKeyCLLPRLABSJJDIT-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.55
Rot. Bonds4

About N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 30838933) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID30838933
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3O)c2n1
InChIInChI=1S/C17H19N5O4S/c1-10-7-11(2)22-16(19-10)13(9-18-22)17(24)20-14-8-12(5-6-15(14)23)27(25,26)21(3)4/h5-9,23H,1-4H3,(H,20,24)
InChIKeyCLLPRLABSJJDIT-UHFFFAOYSA-N
XLogP1.55
TPSA116.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 38339887
N-(5-chloro-2-hydroxyphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416210
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31893771
5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39112162
5,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46585831
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
N-[2-(difluoromethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440692
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20952848
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 30838933) is N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3O)c2n1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CLLPRLABSJJDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-10-7-11(2)22-16(19-10)13(9-18-22)17(24)20-14-8-12(5-6-15(14)23)27(25,26)21(3)4/h5-9,23H,1-4H3,(H,20,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 30838933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).