(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine

C21H16N4 — CID 21236357

IUPAC(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
SMILESC(=N/c1ccccn1)\c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16N4/c1-3-9-17(10-4-1)21-18(15-23-20-13-7-8-14-22-20)16-25(24-21)19-11-5-2-6-12-19/h1-16H/b23-15+
InChIKeyDEBCRYYXVCYXEY-HZHRSRAPSA-N
MW324.39 g/mol
LogP4.68
Rot. Bonds4

About (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine

(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine (PubChem CID 21236357) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
PubChem CID21236357
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
SMILESC(=N/c1ccccn1)\c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16N4/c1-3-9-17(10-4-1)21-18(15-23-20-13-7-8-14-22-20)16-25(24-21)19-11-5-2-6-12-19/h1-16H/b23-15+
InChIKeyDEBCRYYXVCYXEY-HZHRSRAPSA-N
XLogP4.68
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine
CID 84931945
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
CID 2346353
1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
CID 169460172
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 3727889
N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 9023555

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine?
The IUPAC name of (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine (CID 21236357) is (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine.
What is the SMILES notation for (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine?
The canonical SMILES for (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine is C(=N/c1ccccn1)\c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine?
The InChIKey is DEBCRYYXVCYXEY-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H16N4/c1-3-9-17(10-4-1)21-18(15-23-20-13-7-8-14-22-20)16-25(24-21)19-11-5-2-6-12-19/h1-16H/b23-15+.
What are the key properties of (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine?
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine has a molecular weight of 324.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine is sourced from PubChem (CID 21236357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).