2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline

C21H15Cl2N5 — CID 75362969

IUPAC2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
SMILESClc1cccc(Cl)c1N/N=C/c1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C21H15Cl2N5/c22-18-7-4-8-19(23)21(18)26-25-13-16-14-28(17-5-2-1-3-6-17)27-20(16)15-9-11-24-12-10-15/h1-14,26H/b25-13+
InChIKeyFVXOMKAXJOBZJF-DHRITJCHSA-N
MW408.29 g/mol
LogP5.69
Rot. Bonds5

About 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline

2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline (PubChem CID 75362969) has the molecular formula C21H15Cl2N5 and a molecular weight of 408.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
PubChem CID75362969
Molecular FormulaC21H15Cl2N5
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
SMILESClc1cccc(Cl)c1N/N=C/c1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C21H15Cl2N5/c22-18-7-4-8-19(23)21(18)26-25-13-16-14-28(17-5-2-1-3-6-17)27-20(16)15-9-11-24-12-10-15/h1-14,26H/b25-13+
InChIKeyFVXOMKAXJOBZJF-DHRITJCHSA-N
XLogP5.69
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 71844798
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
2,4,6-trichloro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]aniline
CID 4555305
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine
CID 84931945
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 9015279
N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 9023555
N-(2-chlorophenyl)-N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]oxamide
CID 51061323
2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]propanedinitrile
CID 904285
1-butyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]thiourea
CID 8978837
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
CID 5213107
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline?
The IUPAC name of 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline (CID 75362969) is 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline?
The canonical SMILES for 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline is Clc1cccc(Cl)c1N/N=C/c1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline?
The InChIKey is FVXOMKAXJOBZJF-DHRITJCHSA-N. The full InChI is InChI=1S/C21H15Cl2N5/c22-18-7-4-8-19(23)21(18)26-25-13-16-14-28(17-5-2-1-3-6-17)27-20(16)15-9-11-24-12-10-15/h1-14,26H/b25-13+.
What are the key properties of 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline?
2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline has a molecular weight of 408.29 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline is sourced from PubChem (CID 75362969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).