N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide

C13H14N4O — CID 840866

IUPACN-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)NN=Cc1ccccc1
InChIInChI=1S/C13H14N4O/c1-11-7-8-15-17(11)10-13(18)16-14-9-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18)
InChIKeyZPONMMYKYWSFFU-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.34
Rot. Bonds4

About N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide

N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 840866) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID840866
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)NN=Cc1ccccc1
InChIInChI=1S/C13H14N4O/c1-11-7-8-15-17(11)10-13(18)16-14-9-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18)
InChIKeyZPONMMYKYWSFFU-UHFFFAOYSA-N
XLogP1.34
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.34
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-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 6880038
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 135781995
N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 5422920
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936942
2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide
CID 171131122
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936705
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide
CID 11631246
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400
N-[(E)-benzylideneamino]butanamide
CID 6872028
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 745941

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide (CID 840866) is N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is ZPONMMYKYWSFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-11-7-8-15-17(11)10-13(18)16-14-9-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide?
N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 242.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 840866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).