N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide

C23H18ClN5O — CID 9175064

IUPACN-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
SMILESO=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN5O/c24-21-10-4-8-18(12-21)23(30)27-26-14-20-16-29(15-17-6-2-1-3-7-17)28-22(20)19-9-5-11-25-13-19/h1-14,16H,15H2,(H,27,30)/b26-14-
InChIKeyHIFMHEGSYAFIOA-WGARJPEWSA-N
MW415.88 g/mol
LogP4.41
Rot. Bonds6

About N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide

N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide (PubChem CID 9175064) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
PubChem CID9175064
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC NameN-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
SMILESO=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN5O/c24-21-10-4-8-18(12-21)23(30)27-26-14-20-16-29(15-17-6-2-1-3-7-17)28-22(20)19-9-5-11-25-13-19/h1-14,16H,15H2,(H,27,30)/b26-14-
InChIKeyHIFMHEGSYAFIOA-WGARJPEWSA-N
XLogP4.41
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.41
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

N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
CID 9236811
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 42998069
N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 42998035
2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 2127687
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 9142622
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 9015279
N-[(Z)-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 9175450
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide?
The IUPAC name of N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide (CID 9175064) is N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide.
What is the SMILES notation for N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide?
The canonical SMILES for N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide is O=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide?
The InChIKey is HIFMHEGSYAFIOA-WGARJPEWSA-N. The full InChI is InChI=1S/C23H18ClN5O/c24-21-10-4-8-18(12-21)23(30)27-26-14-20-16-29(15-17-6-2-1-3-7-17)28-22(20)19-9-5-11-25-13-19/h1-14,16H,15H2,(H,27,30)/b26-14-.
What are the key properties of N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide?
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide has a molecular weight of 415.88 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide is sourced from PubChem (CID 9175064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).