3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide

C14H13N5O3 — CID 155304009

IUPAC3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide
SMILESCC1=NN(c2cccc(-c3noc(C)n3)c2)C(=O)C1C(N)=O
InChIInChI=1S/C14H13N5O3/c1-7-11(12(15)20)14(21)19(17-7)10-5-3-4-9(6-10)13-16-8(2)22-18-13/h3-6,11H,1-2H3,(H2,15,20)
InChIKeyWGUJTDLJLSRMNG-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.87
Rot. Bonds3

About 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide

3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide (PubChem CID 155304009) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide
PubChem CID155304009
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide
SMILESCC1=NN(c2cccc(-c3noc(C)n3)c2)C(=O)C1C(N)=O
InChIInChI=1S/C14H13N5O3/c1-7-11(12(15)20)14(21)19(17-7)10-5-3-4-9(6-10)13-16-8(2)22-18-13/h3-6,11H,1-2H3,(H2,15,20)
InChIKeyWGUJTDLJLSRMNG-UHFFFAOYSA-N
XLogP0.87
TPSA114.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168662883
4-(aminomethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168660047
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
4-(chloromethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168508058
(3R)-N-(3,4-dimethylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746662
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723646
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46321739
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
CID 7060547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide (CID 155304009) is 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide is CC1=NN(c2cccc(-c3noc(C)n3)c2)C(=O)C1C(N)=O.
What is the InChIKey of 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide?
The InChIKey is WGUJTDLJLSRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-7-11(12(15)20)14(21)19(17-7)10-5-3-4-9(6-10)13-16-8(2)22-18-13/h3-6,11H,1-2H3,(H2,15,20).
What are the key properties of 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide?
3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide is sourced from PubChem (CID 155304009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).