N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide

C20H22N8O3 — CID 166222047

IUPACN-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C20H22N8O3/c1-11-9-12(2)22-20(21-11)26-25-19(31)18(30)24-15-5-7-16(8-6-15)28-17(23-14(4)29)10-13(3)27-28/h5-10H,1-4H3,(H,23,29)(H,24,30)(H,25,31)(H,21,22,26)
InChIKeyNNFNAUKYACYART-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.63
Rot. Bonds5

About N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide

N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide (PubChem CID 166222047) has the molecular formula C20H22N8O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide
PubChem CID166222047
Molecular FormulaC20H22N8O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C20H22N8O3/c1-11-9-12(2)22-20(21-11)26-25-19(31)18(30)24-15-5-7-16(8-6-15)28-17(23-14(4)29)10-13(3)27-28/h5-10H,1-4H3,(H,23,29)(H,24,30)(H,25,31)(H,21,22,26)
InChIKeyNNFNAUKYACYART-UHFFFAOYSA-N
XLogP1.63
TPSA142.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
CID 43069498
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide
CID 3332935
4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 34421347
2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide
CID 75478194
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
(E)-3-(4-acetamidophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide
CID 55520007
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199
1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
CID 150914586
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide (CID 166222047) is N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide is CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide?
The InChIKey is NNFNAUKYACYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3/c1-11-9-12(2)22-20(21-11)26-25-19(31)18(30)24-15-5-7-16(8-6-15)28-17(23-14(4)29)10-13(3)27-28/h5-10H,1-4H3,(H,23,29)(H,24,30)(H,25,31)(H,21,22,26).
What are the key properties of N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide?
N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide has a molecular weight of 422.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 166222047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).