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

C21H16N4 — CID 23879535

IUPACN-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine
SMILESC(=N/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1cccnc1
InChIInChI=1S/C21H16N4/c1-3-9-18(10-4-1)21-20(23-15-17-8-7-13-22-14-17)16-25(24-21)19-11-5-2-6-12-19/h1-16H/b23-15+
InChIKeySIKGRVBXNZEBKO-HZHRSRAPSA-N
MW324.39 g/mol
LogP4.68
Rot. Bonds4

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

N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine (PubChem CID 23879535) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine
PubChem CID23879535
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC NameN-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine
SMILESC(=N/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1cccnc1
InChIInChI=1S/C21H16N4/c1-3-9-18(10-4-1)21-20(23-15-17-8-7-13-22-14-17)16-25(24-21)19-11-5-2-6-12-19/h1-16H/b23-15+
InChIKeySIKGRVBXNZEBKO-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

3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
CID 21236357
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
CID 786981
N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine
CID 611302
N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine
CID 1048779
1,3,4-triphenylpyrazole
CID 555882
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
CID 19173128

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine (CID 23879535) is N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine is C(=N/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1cccnc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine?
The InChIKey is SIKGRVBXNZEBKO-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H16N4/c1-3-9-18(10-4-1)21-20(23-15-17-8-7-13-22-14-17)16-25(24-21)19-11-5-2-6-12-19/h1-16H/b23-15+.
What are the key properties of N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine?
N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-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 N-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 23879535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).