(E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine

C25H23N3O2 — CID 141100588

IUPAC(E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine
SMILESCC/C(=N\OCc1cccc(Oc2ccccc2)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C25H23N3O2/c1-2-25(21-12-14-22(15-13-21)28-17-7-16-26-28)27-29-19-20-8-6-11-24(18-20)30-23-9-4-3-5-10-23/h3-18H,2,19H2,1H3/b27-25+
InChIKeyWKTPUAAUXNMTBR-IMVLJIQESA-N
MW397.48 g/mol
LogP6.00
Rot. Bonds8

About (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine

(E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine (PubChem CID 141100588) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine
PubChem CID141100588
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine
SMILESCC/C(=N\OCc1cccc(Oc2ccccc2)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C25H23N3O2/c1-2-25(21-12-14-22(15-13-21)28-17-7-16-26-28)27-29-19-20-8-6-11-24(18-20)30-23-9-4-3-5-10-23/h3-18H,2,19H2,1H3/b27-25+
InChIKeyWKTPUAAUXNMTBR-IMVLJIQESA-N
XLogP6.00
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 56.00
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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Related Compounds

2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169563
3-[3-[(E)-1-(4-pyrazol-1-ylphenyl)propylideneamino]oxypropoxy]benzoic acid
CID 87833461
2-[3-[2-[(E)-1-(4-pyrazol-1-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834561
2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide
CID 60548245
sodium 2-[3-[2-[(E)-[3-methyl-1-(4-pyrazol-1-ylphenyl)butylidene]amino]oxyethoxy]phenyl]acetate
CID 87832929
1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene
CID 21281086
4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
CID 166323321
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111250486
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
2-[3-[2-[(E)-1-(4-pyridin-4-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834088

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine?
The IUPAC name of (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine (CID 141100588) is (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine.
What is the SMILES notation for (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine?
The canonical SMILES for (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine is CC/C(=N\OCc1cccc(Oc2ccccc2)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine?
The InChIKey is WKTPUAAUXNMTBR-IMVLJIQESA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-25(21-12-14-22(15-13-21)28-17-7-16-26-28)27-29-19-20-8-6-11-24(18-20)30-23-9-4-3-5-10-23/h3-18H,2,19H2,1H3/b27-25+.
What are the key properties of (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine?
(E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine has a molecular weight of 397.48 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine is sourced from PubChem (CID 141100588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).