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

C23H18FN3 — CID 1243009

IUPACN-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C23H18FN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,16-17H,15H2/b25-16+
InChIKeyHHSNSLCGVNREIX-PCLIKHOPSA-N
MW355.42 g/mol
LogP5.30
Rot. Bonds5

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

N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine (PubChem CID 1243009) has the molecular formula C23H18FN3 and a molecular weight of 355.42 g/mol. Its IUPAC name is N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine.

Molecular Properties

Compound NameN-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
PubChem CID1243009
Molecular FormulaC23H18FN3
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC NameN-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C23H18FN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,16-17H,15H2/b25-16+
InChIKeyHHSNSLCGVNREIX-PCLIKHOPSA-N
XLogP5.30
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 2318060
1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine
CID 11112260
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 6899688
1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-phenoxyphenyl)methanimine
CID 23992026
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzonitrile
CID 2405412
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
N-[[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-4-fluoroaniline
CID 3646599
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2360671
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
3-[4-(benzyliminomethyl)-1-phenylpyrazol-3-yl]chromen-2-one
CID 2319465
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine?
The IUPAC name of N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine (CID 1243009) is N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine.
What is the SMILES notation for N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine?
The canonical SMILES for N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine is Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine?
The InChIKey is HHSNSLCGVNREIX-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H18FN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,16-17H,15H2/b25-16+.
What are the key properties of N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine?
N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine has a molecular weight of 355.42 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine is sourced from PubChem (CID 1243009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).