4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide

C21H24N6O4S — CID 73451704

IUPAC4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide
SMILESC=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)N=C1C
InChIInChI=1S/C21H24N6O4S/c1-6-26(7-2)32(30,31)17-10-8-16(9-11-17)20(29)23-18-12-13(3)25-27(18)21-22-15(5)14(4)19(28)24-21/h8-12H,4,6-7H2,1-3,5H3,(H,23,29)
InChIKeyHCLSDNWNDSFMCU-UHFFFAOYSA-N
MW456.53 g/mol
LogP2.24
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide

4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide (PubChem CID 73451704) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide
PubChem CID73451704
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC Name4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide
SMILESC=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)N=C1C
InChIInChI=1S/C21H24N6O4S/c1-6-26(7-2)32(30,31)17-10-8-16(9-11-17)20(29)23-18-12-13(3)25-27(18)21-22-15(5)14(4)19(28)24-21/h8-12H,4,6-7H2,1-3,5H3,(H,23,29)
InChIKeyHCLSDNWNDSFMCU-UHFFFAOYSA-N
XLogP2.24
TPSA126.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 73451706
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CID 75119319
N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
CID 78715153
2-methyl-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 78715121
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 25284324
N-[(2-chlorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339957
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CID 2093173
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 42110600
4-(dimethylsulfamoyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731876
N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide
CID 74801780
(E)-3-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]prop-2-enamide
CID 167997407

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide (CID 73451704) is 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide is C=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)N=C1C.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is HCLSDNWNDSFMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-6-26(7-2)32(30,31)17-10-8-16(9-11-17)20(29)23-18-12-13(3)25-27(18)21-22-15(5)14(4)19(28)24-21/h8-12H,4,6-7H2,1-3,5H3,(H,23,29).
What are the key properties of 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide?
4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 456.53 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 73451704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).