2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide

C22H15Cl2N5O — CID 2127687

IUPAC2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H15Cl2N5O/c23-17-8-9-20(24)19(11-17)22(30)27-26-13-16-14-29(18-6-2-1-3-7-18)28-21(16)15-5-4-10-25-12-15/h1-14H,(H,27,30)
InChIKeyFHLUKVYVYKKZBM-UHFFFAOYSA-N
MW436.30 g/mol
LogP5.01
Rot. Bonds5

About 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide

2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide (PubChem CID 2127687) has the molecular formula C22H15Cl2N5O and a molecular weight of 436.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
PubChem CID2127687
Molecular FormulaC22H15Cl2N5O
Molecular Weight436.30 g/mol
Exact Mass435.07
IUPAC Name2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H15Cl2N5O/c23-17-8-9-20(24)19(11-17)22(30)27-26-13-16-14-29(18-6-2-1-3-7-18)28-21(16)15-5-4-10-25-12-15/h1-14H,(H,27,30)
InChIKeyFHLUKVYVYKKZBM-UHFFFAOYSA-N
XLogP5.01
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 55.01
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

1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 9015279
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
CID 9175064
2,4-dichloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 126372269
2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide
CID 46662601
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
CID 9236811
2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980280
4-amino-N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071101
N-[[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide
CID 2330365
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide (CID 2127687) is 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide is O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is FHLUKVYVYKKZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O/c23-17-8-9-20(24)19(11-17)22(30)27-26-13-16-14-29(18-6-2-1-3-7-18)28-21(16)15-5-4-10-25-12-15/h1-14H,(H,27,30).
What are the key properties of 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 436.30 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 2127687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).