2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide

C18H22N4O3 — CID 154088496

IUPAC2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide
SMILESCNC(=O)C(=NOC)C(C)=CCOc1ccn(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H22N4O3/c1-13-5-7-15(8-6-13)22-11-9-16(20-22)25-12-10-14(2)17(21-24-4)18(23)19-3/h5-11H,12H2,1-4H3,(H,19,23)
InChIKeyBRWFHADGWRITGG-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.25
Rot. Bonds7

About 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide

2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide (PubChem CID 154088496) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide.

Molecular Properties

Compound Name2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide
PubChem CID154088496
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide
SMILESCNC(=O)C(=NOC)C(C)=CCOc1ccn(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H22N4O3/c1-13-5-7-15(8-6-13)22-11-9-16(20-22)25-12-10-14(2)17(21-24-4)18(23)19-3/h5-11H,12H2,1-4H3,(H,19,23)
InChIKeyBRWFHADGWRITGG-UHFFFAOYSA-N
XLogP2.25
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide?
The IUPAC name of 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide (CID 154088496) is 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide.
What is the SMILES notation for 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide?
The canonical SMILES for 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide is CNC(=O)C(=NOC)C(C)=CCOc1ccn(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide?
The InChIKey is BRWFHADGWRITGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-5-7-15(8-6-13)22-11-9-16(20-22)25-12-10-14(2)17(21-24-4)18(23)19-3/h5-11H,12H2,1-4H3,(H,19,23).
What are the key properties of 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide?
2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide has a molecular weight of 342.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide is sourced from PubChem (CID 154088496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).