1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine

C24H18F3N3 — CID 11112260

IUPAC1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine
SMILESFC(F)(F)c1ccccc1C/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H18F3N3/c25-24(26,27)22-14-8-7-11-19(22)15-28-16-20-17-30(21-12-5-2-6-13-21)29-23(20)18-9-3-1-4-10-18/h1-14,16-17H,15H2/b28-16+
InChIKeyQOCMOYYRKFAKQF-LQKURTRISA-N
MW405.42 g/mol
LogP6.18
Rot. Bonds5

About 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine

1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine (PubChem CID 11112260) has the molecular formula C24H18F3N3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine.

Molecular Properties

Compound Name1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine
PubChem CID11112260
Molecular FormulaC24H18F3N3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine
SMILESFC(F)(F)c1ccccc1C/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H18F3N3/c25-24(26,27)22-14-8-7-11-19(22)15-28-16-20-17-30(21-12-5-2-6-13-21)29-23(20)18-9-3-1-4-10-18/h1-14,16-17H,15H2/b28-16+
InChIKeyQOCMOYYRKFAKQF-LQKURTRISA-N
XLogP6.18
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 56.18
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-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 1243009
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 2318060
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
CID 2346353
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 1295858
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
CID 21236357
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine
CID 127025143
4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole
CID 169478562
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine?
The IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine (CID 11112260) is 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine.
What is the SMILES notation for 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine?
The canonical SMILES for 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine is FC(F)(F)c1ccccc1C/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine?
The InChIKey is QOCMOYYRKFAKQF-LQKURTRISA-N. The full InChI is InChI=1S/C24H18F3N3/c25-24(26,27)22-14-8-7-11-19(22)15-28-16-20-17-30(21-12-5-2-6-13-21)29-23(20)18-9-3-1-4-10-18/h1-14,16-17H,15H2/b28-16+.
What are the key properties of 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine?
1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine has a molecular weight of 405.42 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine is sourced from PubChem (CID 11112260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).