1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine

C22H16ClN3 — CID 1239934

IUPAC1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine
SMILESClc1ccccc1C=Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H16ClN3/c23-20-14-8-7-11-18(20)16-24-22-15-21(17-9-3-1-4-10-17)25-26(22)19-12-5-2-6-13-19/h1-16H
InChIKeyADVHHOLZVGQHSJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.94
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine

1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine (PubChem CID 1239934) has the molecular formula C22H16ClN3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine
PubChem CID1239934
Molecular FormulaC22H16ClN3
Molecular Weight357.84 g/mol
Exact Mass357.10
IUPAC Name1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine
SMILESClc1ccccc1C=Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H16ClN3/c23-20-14-8-7-11-18(20)16-24-22-15-21(17-9-3-1-4-10-17)25-26(22)19-12-5-2-6-13-19/h1-16H
InChIKeyADVHHOLZVGQHSJ-UHFFFAOYSA-N
XLogP5.94
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine (CID 1239934) is 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine is Clc1ccccc1C=Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine?
The InChIKey is ADVHHOLZVGQHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3/c23-20-14-8-7-11-18(20)16-24-22-15-21(17-9-3-1-4-10-17)25-26(22)19-12-5-2-6-13-19/h1-16H.
What are the key properties of 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine?
1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine has a molecular weight of 357.84 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1,3-diphenylpyrazol-5-yl)methanimine is sourced from PubChem (CID 1239934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).