2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

C13H13N3O2 — CID 4962587

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(N)=O
InChIInChI=1S/C13H13N3O2/c1-8-11(12(17)13(14)18)9(2)16(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,18)
InChIKeyFOKABBOAIIQUAD-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.16
Rot. Bonds3

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 4962587) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
PubChem CID4962587
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(N)=O
InChIInChI=1S/C13H13N3O2/c1-8-11(12(17)13(14)18)9(2)16(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,18)
InChIKeyFOKABBOAIIQUAD-UHFFFAOYSA-N
XLogP1.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
CID 89179
1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone
CID 607923
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
1-(tert-butyl)-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 2747319
N-(5-Methyl-1-phenyl-1H-pyrazole-4-carbonyl)-guanidine
CID 22267617
N'4-(2,2,2-trifluoroacetyl)-3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbohydrazide
CID 2740689
5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 843369
1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 4962243
3,7,7-trimethyl-1-phenyl-8H-pyrazolo[4,3-c]azepine-4,6-dione
CID 657617
2,5-dimethyl-N-[(E)-(3-oxocyclohexylidene)amino]-1-phenylpyrrole-3-carboxamide
CID 9640089
3,4-Diacetyl-5-methyl-1-phenylpyrazole
CID 12689741
3,4-Diacetyl-1-(3-chlorophenyl)-5-methylpyrazole
CID 16766693

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (CID 4962587) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(N)=O.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is FOKABBOAIIQUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-11(12(17)13(14)18)9(2)16(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,18).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 243.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 4962587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).