(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine

C27H22N4 — CID 11835018

IUPAC(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine
SMILESC(=N/c1ccccn1)\c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C27H22N4/c1-3-9-22(10-4-1)25-19-26(23-11-5-2-6-12-23)31(30-25)24-16-14-21(15-17-24)20-29-27-13-7-8-18-28-27/h1-18,20,26H,19H2/b29-20+
InChIKeyRUWHZELCLVYWEJ-ZTKZIYFRSA-N
MW402.50 g/mol
LogP6.19
Rot. Bonds5

About (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine

(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine (PubChem CID 11835018) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine
PubChem CID11835018
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC Name(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine
SMILESC(=N/c1ccccn1)\c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C27H22N4/c1-3-9-22(10-4-1)25-19-26(23-11-5-2-6-12-23)31(30-25)24-16-14-21(15-17-24)20-29-27-13-7-8-18-28-27/h1-18,20,26H,19H2/b29-20+
InChIKeyRUWHZELCLVYWEJ-ZTKZIYFRSA-N
XLogP6.19
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine?
The IUPAC name of (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine (CID 11835018) is (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine.
What is the SMILES notation for (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine?
The canonical SMILES for (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine is C(=N/c1ccccn1)\c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine?
The InChIKey is RUWHZELCLVYWEJ-ZTKZIYFRSA-N. The full InChI is InChI=1S/C27H22N4/c1-3-9-22(10-4-1)25-19-26(23-11-5-2-6-12-23)31(30-25)24-16-14-21(15-17-24)20-29-27-13-7-8-18-28-27/h1-18,20,26H,19H2/b29-20+.
What are the key properties of (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine?
(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine has a molecular weight of 402.50 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine is sourced from PubChem (CID 11835018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).