3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol

C29H25N3O — CID 3756039

IUPAC3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol
SMILESCc1ccc(C2=NN(c3ccc(/C=N/c4cccc(O)c4)cc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C29H25N3O/c1-21-10-14-23(15-11-21)28-19-29(24-6-3-2-4-7-24)32(31-28)26-16-12-22(13-17-26)20-30-25-8-5-9-27(33)18-25/h2-18,20,29,33H,19H2,1H3/b30-20+
InChIKeyCHQJRNIYYPWOAK-TWKHWXDSSA-N
MW431.54 g/mol
LogP6.81
Rot. Bonds5

About 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol

3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol (PubChem CID 3756039) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol.

Molecular Properties

Compound Name3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol
PubChem CID3756039
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol
SMILESCc1ccc(C2=NN(c3ccc(/C=N/c4cccc(O)c4)cc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C29H25N3O/c1-21-10-14-23(15-11-21)28-19-29(24-6-3-2-4-7-24)32(31-28)26-16-12-22(13-17-26)20-30-25-8-5-9-27(33)18-25/h2-18,20,29,33H,19H2,1H3/b30-20+
InChIKeyCHQJRNIYYPWOAK-TWKHWXDSSA-N
XLogP6.81
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(3-nitrophenyl)methanimine
CID 40901413
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
N-[(Z)-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-4-methylbenzamide
CID 40911298
4-chloro-2-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]phenol
CID 5010578
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
2,4-dichloro-6-[[3-[(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl]iminomethyl]phenol
CID 135820671
(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine
CID 11835018
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 40877279
(Z)-1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 7742090
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine
CID 40884173
(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7317499

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol?
The IUPAC name of 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol (CID 3756039) is 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol.
What is the SMILES notation for 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol?
The canonical SMILES for 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol is Cc1ccc(C2=NN(c3ccc(/C=N/c4cccc(O)c4)cc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol?
The InChIKey is CHQJRNIYYPWOAK-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H25N3O/c1-21-10-14-23(15-11-21)28-19-29(24-6-3-2-4-7-24)32(31-28)26-16-12-22(13-17-26)20-30-25-8-5-9-27(33)18-25/h2-18,20,29,33H,19H2,1H3/b30-20+.
What are the key properties of 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol?
3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol has a molecular weight of 431.54 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol is sourced from PubChem (CID 3756039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).