2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide

C18H24N4O2 — CID 78600372

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide
SMILESCCCOc1ccc(C(C)=NNC(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C18H24N4O2/c1-5-10-24-17-8-6-16(7-9-17)15(4)19-20-18(23)12-22-14(3)11-13(2)21-22/h6-9,11H,5,10,12H2,1-4H3,(H,20,23)
InChIKeyMOQFBZYPTURRNQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.83
Rot. Bonds7

About 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide (PubChem CID 78600372) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide
PubChem CID78600372
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide
SMILESCCCOc1ccc(C(C)=NNC(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C18H24N4O2/c1-5-10-24-17-8-6-16(7-9-17)15(4)19-20-18(23)12-22-14(3)11-13(2)21-22/h6-9,11H,5,10,12H2,1-4H3,(H,20,23)
InChIKeyMOQFBZYPTURRNQ-UHFFFAOYSA-N
XLogP2.83
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide
CID 55352961
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 7966500
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135582560
2-(3-methylphenoxy)-N-[(Z)-1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 7934604
2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 9029885
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169925
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 26594562
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6147863
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 8884023

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide (CID 78600372) is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide is CCCOc1ccc(C(C)=NNC(=O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide?
The InChIKey is MOQFBZYPTURRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-10-24-17-8-6-16(7-9-17)15(4)19-20-18(23)12-22-14(3)11-13(2)21-22/h6-9,11H,5,10,12H2,1-4H3,(H,20,23).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 78600372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).