N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine

C16H12ClN3 — CID 2726821

IUPACN-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine
SMILESClc1ccc(/N=C/c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12ClN3/c17-13-6-8-14(9-7-13)18-12-15-10-11-20(19-15)16-4-2-1-3-5-16/h1-12H/b18-12+
InChIKeyKEGCTLZFSXBAOV-LDADJPATSA-N
MW281.75 g/mol
LogP4.28
Rot. Bonds3

About N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine

N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine (PubChem CID 2726821) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine
PubChem CID2726821
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC NameN-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine
SMILESClc1ccc(/N=C/c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12ClN3/c17-13-6-8-14(9-7-13)18-12-15-10-11-20(19-15)16-4-2-1-3-5-16/h1-12H/b18-12+
InChIKeyKEGCTLZFSXBAOV-LDADJPATSA-N
XLogP4.28
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.28
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 N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine (CID 2726821) is N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine is Clc1ccc(/N=C/c2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine?
The InChIKey is KEGCTLZFSXBAOV-LDADJPATSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-13-6-8-14(9-7-13)18-12-15-10-11-20(19-15)16-4-2-1-3-5-16/h1-12H/b18-12+.
What are the key properties of N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine?
N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine has a molecular weight of 281.75 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine is sourced from PubChem (CID 2726821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).