5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide

C15H17ClN4O2 — CID 6873338

IUPAC5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide
SMILESCCn1ncc(/C=N/NC(=O)c2cc(Cl)ccc2OC)c1C
InChIInChI=1S/C15H17ClN4O2/c1-4-20-10(2)11(9-18-20)8-17-19-15(21)13-7-12(16)5-6-14(13)22-3/h5-9H,4H2,1-3H3,(H,19,21)/b17-8+
InChIKeyQPDFTLPGGXEHDG-CAOOACKPSA-N
MW320.78 g/mol
LogP2.64
Rot. Bonds5

About 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide

5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide (PubChem CID 6873338) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide
PubChem CID6873338
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide
SMILESCCn1ncc(/C=N/NC(=O)c2cc(Cl)ccc2OC)c1C
InChIInChI=1S/C15H17ClN4O2/c1-4-20-10(2)11(9-18-20)8-17-19-15(21)13-7-12(16)5-6-14(13)22-3/h5-9H,4H2,1-3H3,(H,19,21)/b17-8+
InChIKeyQPDFTLPGGXEHDG-CAOOACKPSA-N
XLogP2.64
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.64
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 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide (CID 6873338) is 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide is CCn1ncc(/C=N/NC(=O)c2cc(Cl)ccc2OC)c1C.
What is the InChIKey of 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide?
The InChIKey is QPDFTLPGGXEHDG-CAOOACKPSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-4-20-10(2)11(9-18-20)8-17-19-15(21)13-7-12(16)5-6-14(13)22-3/h5-9H,4H2,1-3H3,(H,19,21)/b17-8+.
What are the key properties of 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide?
5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide has a molecular weight of 320.78 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 6873338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).