2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C18H21N5O4S — CID 56531587

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21N5O4S/c1-11-15(12(2)23-16(19-11)10-18(25)21-23)9-17(24)20-13-6-5-7-14(8-13)28(26,27)22(3)4/h5-8,10H,9H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyJOVCTQFQVVKHDQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.07
Rot. Bonds5

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 56531587) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID56531587
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21N5O4S/c1-11-15(12(2)23-16(19-11)10-18(25)21-23)9-17(24)20-13-6-5-7-14(8-13)28(26,27)22(3)4/h5-8,10H,9H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyJOVCTQFQVVKHDQ-UHFFFAOYSA-N
XLogP1.07
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3960198
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 9269172
N'-[(4Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide
CID 139086705
(Z)-N'-[1-(3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)propyl]benzenesulfonohydrazide
CID 139087401
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56576834
3-[5-methyl-3-oxo-4-(phenyliminomethyl)-1H-pyrazol-2-yl]benzenesulfonamide
CID 136087409
3-[4-(C-ethyl-N-phenylcarbonimidoyl)-3-oxo-5-propyl-1H-pyrazol-2-yl]benzenesulfonic acid
CID 136434865
3-[4-(indol-6-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
CID 173493581
6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3904448
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7998142
N-[3-(diethylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8151569
N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 9406601

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 56531587) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is JOVCTQFQVVKHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-11-15(12(2)23-16(19-11)10-18(25)21-23)9-17(24)20-13-6-5-7-14(8-13)28(26,27)22(3)4/h5-8,10H,9H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 56531587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).