3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile

C23H15FN4 — CID 2405412

IUPAC3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile
SMILESN#Cc1cccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H15FN4/c24-20-11-9-18(10-12-20)23-19(15-26-21-6-4-5-17(13-21)14-25)16-28(27-23)22-7-2-1-3-8-22/h1-13,15-16H/b26-15+
InChIKeyWNHWRGMKWKTLST-CVKSISIWSA-N
MW366.40 g/mol
LogP5.30
Rot. Bonds4

About 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile

3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile (PubChem CID 2405412) has the molecular formula C23H15FN4 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile
PubChem CID2405412
Molecular FormulaC23H15FN4
Molecular Weight366.40 g/mol
Exact Mass366.13
IUPAC Name3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile
SMILESN#Cc1cccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H15FN4/c24-20-11-9-18(10-12-20)23-19(15-26-21-6-4-5-17(13-21)14-25)16-28(27-23)22-7-2-1-3-8-22/h1-13,15-16H/b26-15+
InChIKeyWNHWRGMKWKTLST-CVKSISIWSA-N
XLogP5.30
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 55.30
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

1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine
CID 23992026
3-(4-formyl-1-phenylpyrazol-3-yl)benzonitrile
CID 63990735
N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 1243009
[4-(4-cyanophenyl)phenyl] 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 5036511
1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021
(E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 877281
3-[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]benzonitrile
CID 83203714
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 6899688
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide
CID 2319723
[(1R)-1-cyanoethyl] (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 8820366
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile?
The IUPAC name of 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile (CID 2405412) is 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile is N#Cc1cccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile?
The InChIKey is WNHWRGMKWKTLST-CVKSISIWSA-N. The full InChI is InChI=1S/C23H15FN4/c24-20-11-9-18(10-12-20)23-19(15-26-21-6-4-5-17(13-21)14-25)16-28(27-23)22-7-2-1-3-8-22/h1-13,15-16H/b26-15+.
What are the key properties of 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile?
3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile has a molecular weight of 366.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile is sourced from PubChem (CID 2405412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).