N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide

C12H13N3O2 — CID 131879928

IUPACN-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C12H13N3O2/c1-8-3-5-10(6-4-8)15-12(17)7-11(14-15)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,14,16)
InChIKeyCAFNZHGOVTYHKJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.18
Rot. Bonds1

About N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide

N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide (PubChem CID 131879928) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide
PubChem CID131879928
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C12H13N3O2/c1-8-3-5-10(6-4-8)15-12(17)7-11(14-15)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,14,16)
InChIKeyCAFNZHGOVTYHKJ-UHFFFAOYSA-N
XLogP1.18
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341604
1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea
CID 131879882
2-(4-methylphenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 43084359
N-[5-oxo-1-[4-phenoxy-3-(trihydroxy-λ4-sulfanyl)phenyl]-4H-pyrazol-3-yl]acetamide
CID 59102781
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2,2-diphenylacetamide
CID 17341544
5-isocyano-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 172525602
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
CID 820347
1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea
CID 27234834
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ylacetamide
CID 25020981
4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
CID 4086322
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl chloride
CID 10776232
2-(4-methyl-2-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341695

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide (CID 131879928) is N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide is CC(=O)NC1=NN(c2ccc(C)cc2)C(=O)C1.
What is the InChIKey of N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide?
The InChIKey is CAFNZHGOVTYHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-5-10(6-4-8)15-12(17)7-11(14-15)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,14,16).
What are the key properties of N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide?
N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 131879928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).