N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C23H23N7O — CID 42998069

IUPACN-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)n1
InChIInChI=1S/C23H23N7O/c1-17-11-18(2)30(27-17)16-22(31)26-25-13-21-15-29(14-19-7-4-3-5-8-19)28-23(21)20-9-6-10-24-12-20/h3-13,15H,14,16H2,1-2H3,(H,26,31)/b25-13+
InChIKeyKOZUPQPSVSUPMB-DHRITJCHSA-N
MW413.49 g/mol
LogP2.96
Rot. Bonds7

About N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 42998069) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID42998069
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)n1
InChIInChI=1S/C23H23N7O/c1-17-11-18(2)30(27-17)16-22(31)26-25-13-21-15-29(14-19-7-4-3-5-8-19)28-23(21)20-9-6-10-24-12-20/h3-13,15H,14,16H2,1-2H3,(H,26,31)/b25-13+
InChIKeyKOZUPQPSVSUPMB-DHRITJCHSA-N
XLogP2.96
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 42998035
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
CID 9175064
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
CID 9236811
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide
CID 29218613
N-[(2,4-dichlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 937151
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-ethyl-N-methylprop-2-enamide
CID 134005696
N-[(Z)-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 9175450
N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 9142622

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 42998069) is N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)N/N=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)n1.
What is the InChIKey of N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is KOZUPQPSVSUPMB-DHRITJCHSA-N. The full InChI is InChI=1S/C23H23N7O/c1-17-11-18(2)30(27-17)16-22(31)26-25-13-21-15-29(14-19-7-4-3-5-8-19)28-23(21)20-9-6-10-24-12-20/h3-13,15H,14,16H2,1-2H3,(H,26,31)/b25-13+.
What are the key properties of N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 413.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 42998069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).