N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C14H15ClN4O — CID 6886093

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-10-7-11(2)19(18-10)9-14(20)17-16-8-12-5-3-4-6-13(12)15/h3-8H,9H2,1-2H3,(H,17,20)/b16-8+
InChIKeyHIIHZWIWHUQTNW-LZYBPNLTSA-N
MW290.75 g/mol
LogP2.30
Rot. Bonds4

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 6886093) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID6886093
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-10-7-11(2)19(18-10)9-14(20)17-16-8-12-5-3-4-6-13(12)15/h3-8H,9H2,1-2H3,(H,17,20)/b16-8+
InChIKeyHIIHZWIWHUQTNW-LZYBPNLTSA-N
XLogP2.30
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,4-dichlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 937151
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 6889379
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5400153
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 745941
N-[(E)-(3-bromophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6887625
3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
CID 5418862
methyl 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 46804575
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 135688704
N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 42998069
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 135582558
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4854849
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 6886093) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)N/N=C/c2ccccc2Cl)n1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is HIIHZWIWHUQTNW-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-10-7-11(2)19(18-10)9-14(20)17-16-8-12-5-3-4-6-13(12)15/h3-8H,9H2,1-2H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 290.75 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 6886093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).