N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine

C23H16F3N3 — CID 126057753

IUPACN-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1C=Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H16F3N3/c24-23(25,26)20-14-8-7-11-18(20)16-27-22-15-21(17-9-3-1-4-10-17)28-29(22)19-12-5-2-6-13-19/h1-16H
InChIKeyKZDHXWAEOXXRHU-UHFFFAOYSA-N
MW391.40 g/mol
LogP6.31
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine

N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 126057753) has the molecular formula C23H16F3N3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID126057753
Molecular FormulaC23H16F3N3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1C=Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H16F3N3/c24-23(25,26)20-14-8-7-11-18(20)16-27-22-15-21(17-9-3-1-4-10-17)28-29(22)19-12-5-2-6-13-19/h1-16H
InChIKeyKZDHXWAEOXXRHU-UHFFFAOYSA-N
XLogP6.31
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 56.31
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

2-[(1,3-diphenylpyrazol-5-yl)iminomethyl]-4-nitrophenol
CID 4520619
1-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]methanimine
CID 94849417
5-[(1,3-diphenylpyrazol-5-yl)-difluoromethyl]-1,3-diphenylpyrazole
CID 12640730
1-anthracen-9-yl-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]methanimine
CID 132814570
4-[[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]iminomethyl]benzonitrile
CID 4003600
1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
CID 9462057
diethyl 2-[(1,3-diphenylpyrazol-5-yl)iminomethyl]propanedioate
CID 123869250
[3-[(E)-(1,3-diphenylpyrazol-5-yl)iminomethyl]phenyl] 4-tert-butylbenzoate
CID 25250622
1,3,5-triphenylpyrazole
CID 626614
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(3-phenylmethoxycyclohexa-1,3-dien-5-yn-1-yl)methanimine
CID 126075969
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide
CID 5302319

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine (CID 126057753) is N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccccc1C=Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is KZDHXWAEOXXRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3/c24-23(25,26)20-14-8-7-11-18(20)16-27-22-15-21(17-9-3-1-4-10-17)28-29(22)19-12-5-2-6-13-19/h1-16H.
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine?
N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 391.40 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 126057753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).