(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine

C17H12Cl2FN3O — CID 135777578

IUPAC(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine
SMILESFc1ccc(-c2[nH]ncc2/C=N\OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H12Cl2FN3O/c18-14-4-1-12(16(19)7-14)10-24-22-9-13-8-21-23-17(13)11-2-5-15(20)6-3-11/h1-9H,10H2,(H,21,23)/b22-9-
InChIKeyWVDUNXXENISPKH-AFPJDJCSSA-N
MW364.21 g/mol
LogP5.07
Rot. Bonds5

About (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine

(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine (PubChem CID 135777578) has the molecular formula C17H12Cl2FN3O and a molecular weight of 364.21 g/mol. Its IUPAC name is (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine.

Molecular Properties

Compound Name(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine
PubChem CID135777578
Molecular FormulaC17H12Cl2FN3O
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine
SMILESFc1ccc(-c2[nH]ncc2/C=N\OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H12Cl2FN3O/c18-14-4-1-12(16(19)7-14)10-24-22-9-13-8-21-23-17(13)11-2-5-15(20)6-3-11/h1-9H,10H2,(H,21,23)/b22-9-
InChIKeyWVDUNXXENISPKH-AFPJDJCSSA-N
XLogP5.07
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.21
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine?
The IUPAC name of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine (CID 135777578) is (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine.
What is the SMILES notation for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine?
The canonical SMILES for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine is Fc1ccc(-c2[nH]ncc2/C=N\OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine?
The InChIKey is WVDUNXXENISPKH-AFPJDJCSSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O/c18-14-4-1-12(16(19)7-14)10-24-22-9-13-8-21-23-17(13)11-2-5-15(20)6-3-11/h1-9H,10H2,(H,21,23)/b22-9-.
What are the key properties of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine?
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine has a molecular weight of 364.21 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanimine is sourced from PubChem (CID 135777578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).