4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide

C13H14N4O2 — CID 134026280

IUPAC4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCO/N=C/c1ccc(C(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C13H14N4O2/c1-17-8-7-12(16-17)15-13(18)11-5-3-10(4-6-11)9-14-19-2/h3-9H,1-2H3,(H,15,16,18)/b14-9+
InChIKeyKKFQOKQIPKNSQI-NTEUORMPSA-N
MW258.28 g/mol
LogP1.65
Rot. Bonds4

About 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide

4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 134026280) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID134026280
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCO/N=C/c1ccc(C(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C13H14N4O2/c1-17-8-7-12(16-17)15-13(18)11-5-3-10(4-6-11)9-14-19-2/h3-9H,1-2H3,(H,15,16,18)/b14-9+
InChIKeyKKFQOKQIPKNSQI-NTEUORMPSA-N
XLogP1.65
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide (CID 134026280) is 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide is CO/N=C/c1ccc(C(=O)Nc2ccn(C)n2)cc1.
What is the InChIKey of 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is KKFQOKQIPKNSQI-NTEUORMPSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-8-7-12(16-17)15-13(18)11-5-3-10(4-6-11)9-14-19-2/h3-9H,1-2H3,(H,15,16,18)/b14-9+.
What are the key properties of 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide?
4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 134026280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).