(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine

C23H17Cl2N3O — CID 127025143

IUPAC(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine
SMILESClc1ccc(CO/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C23H17Cl2N3O/c24-20-12-11-18(22(25)13-20)16-29-26-14-19-15-28(21-9-5-2-6-10-21)27-23(19)17-7-3-1-4-8-17/h1-15H,16H2/b26-14+
InChIKeySTPLKWGZACWGKV-VULFUBBASA-N
MW422.32 g/mol
LogP6.40
Rot. Bonds6

About (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine

(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine (PubChem CID 127025143) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine
PubChem CID127025143
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine
SMILESClc1ccc(CO/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C23H17Cl2N3O/c24-20-12-11-18(22(25)13-20)16-29-26-14-19-15-28(21-9-5-2-6-10-21)27-23(19)17-7-3-1-4-8-17/h1-15H,16H2/b26-14+
InChIKeySTPLKWGZACWGKV-VULFUBBASA-N
XLogP6.40
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.40
H-Bond Donors ≤ 50
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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Related Compounds

N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
CID 5142873
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 51061895
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 2318060
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
2-(3-chlorophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 1043473
1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]-N-[(3-phenyltriazol-4-yl)methoxy]methanimine
CID 172654174
(5E)-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-methyl-1-[(4-methylphenyl)methyl]-2,6-dioxopyridine-3-carbonitrile
CID 19112621
(5E)-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19111779
(5E)-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1-hexyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19110138
1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine
CID 11112260
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512625
(5Z)-3-cyclohexyl-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6064510

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine?
The IUPAC name of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine (CID 127025143) is (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine.
What is the SMILES notation for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine?
The canonical SMILES for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine is Clc1ccc(CO/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1.
What is the InChIKey of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine?
The InChIKey is STPLKWGZACWGKV-VULFUBBASA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c24-20-12-11-18(22(25)13-20)16-29-26-14-19-15-28(21-9-5-2-6-10-21)27-23(19)17-7-3-1-4-8-17/h1-15H,16H2/b26-14+.
What are the key properties of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine?
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine has a molecular weight of 422.32 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine is sourced from PubChem (CID 127025143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).