4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide

C12H11ClN4O — CID 5412410

IUPAC4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide
SMILESCn1nccc1/C=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4O/c1-17-11(6-7-15-17)8-14-16-12(18)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,16,18)/b14-8-
InChIKeyFPZUEVOZBNQBLD-ZSOIEALJSA-N
MW262.70 g/mol
LogP1.84
Rot. Bonds3

About 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide

4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide (PubChem CID 5412410) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide
PubChem CID5412410
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide
SMILESCn1nccc1/C=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4O/c1-17-11(6-7-15-17)8-14-16-12(18)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,16,18)/b14-8-
InChIKeyFPZUEVOZBNQBLD-ZSOIEALJSA-N
XLogP1.84
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide (CID 5412410) is 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide is Cn1nccc1/C=N\NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide?
The InChIKey is FPZUEVOZBNQBLD-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-17-11(6-7-15-17)8-14-16-12(18)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,16,18)/b14-8-.
What are the key properties of 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide has a molecular weight of 262.70 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 5412410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).