1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine

C16H13Cl2N3 — CID 921717

IUPAC1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
SMILESClc1ccc(/C=N/C2=NN(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3/c17-13-7-6-12(15(18)10-13)11-19-16-8-9-21(20-16)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2/b19-11+
InChIKeyUZWUJJVPFWFMHA-YBFXNURJSA-N
MW318.21 g/mol
LogP4.64
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine

1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine (PubChem CID 921717) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
PubChem CID921717
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
SMILESClc1ccc(/C=N/C2=NN(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3/c17-13-7-6-12(15(18)10-13)11-19-16-8-9-21(20-16)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2/b19-11+
InChIKeyUZWUJJVPFWFMHA-YBFXNURJSA-N
XLogP4.64
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.64
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-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine (CID 921717) is 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine is Clc1ccc(/C=N/C2=NN(c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The InChIKey is UZWUJJVPFWFMHA-YBFXNURJSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-13-7-6-12(15(18)10-13)11-19-16-8-9-21(20-16)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2/b19-11+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine has a molecular weight of 318.21 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine is sourced from PubChem (CID 921717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).