1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine

C30H27N3 — CID 40877279

IUPAC1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H27N3/c1-23(25-11-5-2-6-12-25)31-22-24-17-19-28(20-18-24)33-30(27-15-9-4-10-16-27)21-29(32-33)26-13-7-3-8-14-26/h2-20,22-23,30H,21H2,1H3/b31-22+/t23-,30+/m0/s1
InChIKeyNHIVKJVPLGQPJF-WVYNYODQSA-N
MW429.57 g/mol
LogP7.22
Rot. Bonds6

About 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine

1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 40877279) has the molecular formula C30H27N3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
PubChem CID40877279
Molecular FormulaC30H27N3
Molecular Weight429.57 g/mol
Exact Mass429.22
IUPAC Name1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H27N3/c1-23(25-11-5-2-6-12-25)31-22-24-17-19-28(20-18-24)33-30(27-15-9-4-10-16-27)21-29(32-33)26-13-7-3-8-14-26/h2-20,22-23,30H,21H2,1H3/b31-22+/t23-,30+/m0/s1
InChIKeyNHIVKJVPLGQPJF-WVYNYODQSA-N
XLogP7.22
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 57.22
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

1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-octylmethanimine
CID 3249432
(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7317499
(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine
CID 11835018
(Z)-1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 7742090
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine
CID 40884173
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(3-nitrophenyl)methanimine
CID 40901413
N-[(Z)-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-4-methylbenzamide
CID 40911298
2-[2-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841357
N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4315527
4-chloro-2-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]phenol
CID 5010578

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine (CID 40877279) is 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine is C[C@H](/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is NHIVKJVPLGQPJF-WVYNYODQSA-N. The full InChI is InChI=1S/C30H27N3/c1-23(25-11-5-2-6-12-25)31-22-24-17-19-28(20-18-24)33-30(27-15-9-4-10-16-27)21-29(32-33)26-13-7-3-8-14-26/h2-20,22-23,30H,21H2,1H3/b31-22+/t23-,30+/m0/s1.
What are the key properties of 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 429.57 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 40877279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).