2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide

C17H22N4O — CID 6147863

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C17H22N4O/c1-4-16(11-15-8-6-5-7-9-15)18-19-17(22)12-21-14(3)10-13(2)20-21/h5-10H,4,11-12H2,1-3H3,(H,19,22)/b18-16-
InChIKeyVGJHXVCVNYGPOM-VLGSPTGOSA-N
MW298.39 g/mol
LogP2.62
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide (PubChem CID 6147863) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
PubChem CID6147863
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C17H22N4O/c1-4-16(11-15-8-6-5-7-9-15)18-19-17(22)12-21-14(3)10-13(2)20-21/h5-10H,4,11-12H2,1-3H3,(H,19,22)/b18-16-
InChIKeyVGJHXVCVNYGPOM-VLGSPTGOSA-N
XLogP2.62
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.62
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

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135582560
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 7966500
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4854849
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
CID 6371689
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 78600372
N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 42998069
N-[(E)-(3-bromophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6887625
N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 7780034
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 6146042

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide (CID 6147863) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide is CC/C(Cc1ccccc1)=N/NC(=O)Cn1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide?
The InChIKey is VGJHXVCVNYGPOM-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-16(11-15-8-6-5-7-9-15)18-19-17(22)12-21-14(3)10-13(2)20-21/h5-10H,4,11-12H2,1-3H3,(H,19,22)/b18-16-.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide is sourced from PubChem (CID 6147863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).