(E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C26H22N4O2 — CID 44569563

IUPAC(E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C26H22N4O2/c1-32-24-14-12-20(13-15-24)17-27-29-26(31)25(22-8-4-2-5-9-22)16-21-18-28-30(19-21)23-10-6-3-7-11-23/h2-19H,1H3,(H,29,31)/b25-16+,27-17+
InChIKeyUWPJSEOQLMGKAS-JAMVSGQDSA-N
MW422.49 g/mol
LogP4.57
Rot. Bonds7

About (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 44569563) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID44569563
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name(E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C26H22N4O2/c1-32-24-14-12-20(13-15-24)17-27-29-26(31)25(22-8-4-2-5-9-22)16-21-18-28-30(19-21)23-10-6-3-7-11-23/h2-19H,1H3,(H,29,31)/b25-16+,27-17+
InChIKeyUWPJSEOQLMGKAS-JAMVSGQDSA-N
XLogP4.57
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 44569563) is (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide is COc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is UWPJSEOQLMGKAS-JAMVSGQDSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-32-24-14-12-20(13-15-24)17-27-29-26(31)25(22-8-4-2-5-9-22)16-21-18-28-30(19-21)23-10-6-3-7-11-23/h2-19H,1H3,(H,29,31)/b25-16+,27-17+.
What are the key properties of (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 422.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 44569563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).