4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide

C22H24N4O — CID 6146042

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-4-21(19-8-6-5-7-9-19)23-24-22(27)20-12-10-18(11-13-20)15-26-17(3)14-16(2)25-26/h5-14H,4,15H2,1-3H3,(H,24,27)/b23-21-
InChIKeyNTLFBRUFZPZMTA-LNVKXUELSA-N
MW360.46 g/mol
LogP4.09
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide (PubChem CID 6146042) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide
PubChem CID6146042
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-4-21(19-8-6-5-7-9-19)23-24-22(27)20-12-10-18(11-13-20)15-26-17(3)14-16(2)25-26/h5-14H,4,15H2,1-3H3,(H,24,27)/b23-21-
InChIKeyNTLFBRUFZPZMTA-LNVKXUELSA-N
XLogP4.09
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.09
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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1R)-1-(2-methylphenyl)propyl]benzamide
CID 100586569
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
CID 95869297
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100585501
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-4-phenylbutanoic acid
CID 119201245
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 6874502
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 135533865
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide (CID 6146042) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide is CC/C(=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide?
The InChIKey is NTLFBRUFZPZMTA-LNVKXUELSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-21(19-8-6-5-7-9-19)23-24-22(27)20-12-10-18(11-13-20)15-26-17(3)14-16(2)25-26/h5-14H,4,15H2,1-3H3,(H,24,27)/b23-21-.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide is sourced from PubChem (CID 6146042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).