(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

C20H17FN6 — CID 9028599

IUPAC(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/C=N\n1cnnc1-c1ccccc1
InChIInChI=1S/C20H17FN6/c1-14-19(15(2)27(25-14)18-10-8-17(21)9-11-18)12-23-26-13-22-24-20(26)16-6-4-3-5-7-16/h3-13H,1-2H3/b23-12-
InChIKeyKACWUGXGUHNYOT-FMCGGJTJSA-N
MW360.40 g/mol
LogP3.77
Rot. Bonds4

About (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 9028599) has the molecular formula C20H17FN6 and a molecular weight of 360.40 g/mol. Its IUPAC name is (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
PubChem CID9028599
Molecular FormulaC20H17FN6
Molecular Weight360.40 g/mol
Exact Mass360.15
IUPAC Name(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/C=N\n1cnnc1-c1ccccc1
InChIInChI=1S/C20H17FN6/c1-14-19(15(2)27(25-14)18-10-8-17(21)9-11-18)12-23-26-13-22-24-20(26)16-6-4-3-5-7-16/h3-13H,1-2H3/b23-12-
InChIKeyKACWUGXGUHNYOT-FMCGGJTJSA-N
XLogP3.77
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
CID 9024138
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
(Z)-1-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028217
(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 135771176
(Z)-1-(3,4-difluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028340
(Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
CID 9194563
(Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028276
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 45114683
(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028333
(Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027718
1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde
CID 72545568
(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297603

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (CID 9028599) is (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is Cc1nn(-c2ccc(F)cc2)c(C)c1/C=N\n1cnnc1-c1ccccc1.
What is the InChIKey of (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is KACWUGXGUHNYOT-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H17FN6/c1-14-19(15(2)27(25-14)18-10-8-17(21)9-11-18)12-23-26-13-22-24-20(26)16-6-4-3-5-7-16/h3-13H,1-2H3/b23-12-.
What are the key properties of (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 360.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9028599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).