N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C18H24N4O3 — CID 5342889

IUPACN-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CCc2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C18H24N4O3/c1-11(14-6-8-16(24-4)17(10-14)25-5)19-22-18(23)9-7-15-12(2)20-21-13(15)3/h6,8,10H,7,9H2,1-5H3,(H,20,21)(H,22,23)/b19-11+
InChIKeyZYTCTFLTUOIOIK-YBFXNURJSA-N
MW344.42 g/mol
LogP2.52
Rot. Bonds7

About N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 5342889) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID5342889
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CCc2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C18H24N4O3/c1-11(14-6-8-16(24-4)17(10-14)25-5)19-22-18(23)9-7-15-12(2)20-21-13(15)3/h6,8,10H,7,9H2,1-5H3,(H,20,21)(H,22,23)/b19-11+
InChIKeyZYTCTFLTUOIOIK-YBFXNURJSA-N
XLogP2.52
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
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

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
CID 135641899
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 785587
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(3,4,5-trimethoxybenzylidene)propanehydrazide
CID 6888765
(E)-N'-(2,5-dimethoxybenzylidene)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
CID 6888521
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(2,4,5-trimethoxybenzylidene)propanehydrazide
CID 5343112
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5342804
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(4-hydroxy-3-methoxybenzylidene)propanehydrazide
CID 135476871
(E)-1-(4-aminophenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117928209
(E)-1-(3,4-dimethoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117928347
(E)-1-(3,4-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117935720

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 5342889) is N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is COc1ccc(/C(C)=N/NC(=O)CCc2c(C)n[nH]c2C)cc1OC.
What is the InChIKey of N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is ZYTCTFLTUOIOIK-YBFXNURJSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(14-6-8-16(24-4)17(10-14)25-5)19-22-18(23)9-7-15-12(2)20-21-13(15)3/h6,8,10H,7,9H2,1-5H3,(H,20,21)(H,22,23)/b19-11+.
What are the key properties of N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 344.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 5342889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).