1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine

C19H15FN6O — CID 2368370

IUPAC1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1cnnc1
InChIInChI=1S/C19H15FN6O/c1-14-18(11-23-25-12-21-22-13-25)19(27-17-9-7-15(20)8-10-17)26(24-14)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyZAYNKEIXRGPTGM-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.59
Rot. Bonds5

About 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine

1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 2368370) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID2368370
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1cnnc1
InChIInChI=1S/C19H15FN6O/c1-14-18(11-23-25-12-21-22-13-25)19(27-17-9-7-15(20)8-10-17)26(24-14)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyZAYNKEIXRGPTGM-UHFFFAOYSA-N
XLogP3.59
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-3-propan-2-ylthiourea
CID 7934595
N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 6155597
N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 6893267
(1S,4R)-N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine
CID 6598931
2-[(5Z)-5-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 71574991
N-(2-chlorophenyl)-2-cyano-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]prop-2-enamide
CID 5226687
N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 42993077
(2S)-2-[(5Z)-5-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylpentanoic acid
CID 71575605
1-[5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-(2-phenoxypropoxy)methanimine
CID 88631662
(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
CID 9453079
1-cyclohexyl-3-[[5-(4-ethoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]thiourea
CID 2437296
(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028599

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine (CID 2368370) is 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1cnnc1.
What is the InChIKey of 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is ZAYNKEIXRGPTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c1-14-18(11-23-25-12-21-22-13-25)19(27-17-9-7-15(20)8-10-17)26(24-14)16-5-3-2-4-6-16/h2-13H,1H3.
What are the key properties of 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine?
1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 362.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 2368370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).