(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine

C18H13BrN6 — CID 9014497

IUPAC(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESBrc1cccc(-c2nn(-c3ccccc3)cc2/C=N\n2cnnc2)c1
InChIInChI=1S/C18H13BrN6/c19-16-6-4-5-14(9-16)18-15(10-22-24-12-20-21-13-24)11-25(23-18)17-7-2-1-3-8-17/h1-13H/b22-10-
InChIKeyBINHOMSJFZBPQE-YVNNLAQVSA-N
MW393.25 g/mol
LogP3.78
Rot. Bonds4

About (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 9014497) has the molecular formula C18H13BrN6 and a molecular weight of 393.25 g/mol. Its IUPAC name is (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID9014497
Molecular FormulaC18H13BrN6
Molecular Weight393.25 g/mol
Exact Mass392.04
IUPAC Name(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESBrc1cccc(-c2nn(-c3ccccc3)cc2/C=N\n2cnnc2)c1
InChIInChI=1S/C18H13BrN6/c19-16-6-4-5-14(9-16)18-15(10-22-24-12-20-21-13-24)11-25(23-18)17-7-2-1-3-8-17/h1-13H/b22-10-
InChIKeyBINHOMSJFZBPQE-YVNNLAQVSA-N
XLogP3.78
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 53.78
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

1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
(Z)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 9014474
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
3-[1-phenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrazol-3-yl]chromen-2-one
CID 9014471
3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N,N-diethylprop-2-enamide
CID 1322616
4-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295694
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 1306988
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
4,5-bis(3-bromophenyl)-2-phenyltriazole
CID 141418930
6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
CID 9025043
1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
CID 9351055

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine (CID 9014497) is (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is Brc1cccc(-c2nn(-c3ccccc3)cc2/C=N\n2cnnc2)c1.
What is the InChIKey of (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is BINHOMSJFZBPQE-YVNNLAQVSA-N. The full InChI is InChI=1S/C18H13BrN6/c19-16-6-4-5-14(9-16)18-15(10-22-24-12-20-21-13-24)11-25(23-18)17-7-2-1-3-8-17/h1-13H/b22-10-.
What are the key properties of (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 393.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9014497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).