(E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine

C24H20FN3O2 — CID 127027630

IUPAC(E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/OCc2ccccc2F)cc1
InChIInChI=1S/C24H20FN3O2/c1-29-22-13-11-18(12-14-22)24-20(16-28(27-24)21-8-3-2-4-9-21)15-26-30-17-19-7-5-6-10-23(19)25/h2-16H,17H2,1H3/b26-15+
InChIKeyDSTBKIIZCPNNOY-CVKSISIWSA-N
MW401.44 g/mol
LogP5.24
Rot. Bonds7

About (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine

(E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine (PubChem CID 127027630) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
PubChem CID127027630
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name(E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/OCc2ccccc2F)cc1
InChIInChI=1S/C24H20FN3O2/c1-29-22-13-11-18(12-14-22)24-20(16-28(27-24)21-8-3-2-4-9-21)15-26-30-17-19-7-5-6-10-23(19)25/h2-16H,17H2,1H3/b26-15+
InChIKeyDSTBKIIZCPNNOY-CVKSISIWSA-N
XLogP5.24
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
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 (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?
The IUPAC name of (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine (CID 127027630) is (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine.
What is the SMILES notation for (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?
The canonical SMILES for (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine is COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/OCc2ccccc2F)cc1.
What is the InChIKey of (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?
The InChIKey is DSTBKIIZCPNNOY-CVKSISIWSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-29-22-13-11-18(12-14-22)24-20(16-28(27-24)21-8-3-2-4-9-21)15-26-30-17-19-7-5-6-10-23(19)25/h2-16H,17H2,1H3/b26-15+.
What are the key properties of (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?
(E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine has a molecular weight of 401.44 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine is sourced from PubChem (CID 127027630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).