1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine

C28H20FN3O — CID 23992026

IUPAC1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C28H20FN3O/c29-23-16-14-21(15-17-23)28-22(20-32(31-28)25-9-3-1-4-10-25)19-30-24-8-7-13-27(18-24)33-26-11-5-2-6-12-26/h1-20H/b30-19+
InChIKeyNHYSFHFLTHRLIP-NDZAJKAJSA-N
MW433.49 g/mol
LogP7.22
Rot. Bonds6

About 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine

1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine (PubChem CID 23992026) has the molecular formula C28H20FN3O and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine
PubChem CID23992026
Molecular FormulaC28H20FN3O
Molecular Weight433.49 g/mol
Exact Mass433.16
IUPAC Name1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C28H20FN3O/c29-23-16-14-21(15-17-23)28-22(20-32(31-28)25-9-3-1-4-10-25)19-30-24-8-7-13-27(18-24)33-26-11-5-2-6-12-26/h1-20H/b30-19+
InChIKeyNHYSFHFLTHRLIP-NDZAJKAJSA-N
XLogP7.22
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile
CID 2405412
N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 1243009
N-[[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-4-fluoroaniline
CID 3646599
1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 6899688
(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 21236377
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine
CID 23966319
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide
CID 2319723
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
CID 21236357

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine (CID 23992026) is 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine is Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine?
The InChIKey is NHYSFHFLTHRLIP-NDZAJKAJSA-N. The full InChI is InChI=1S/C28H20FN3O/c29-23-16-14-21(15-17-23)28-22(20-32(31-28)25-9-3-1-4-10-25)19-30-24-8-7-13-27(18-24)33-26-11-5-2-6-12-26/h1-20H/b30-19+.
What are the key properties of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine?
1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine has a molecular weight of 433.49 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine is sourced from PubChem (CID 23992026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).