3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

C22H24N4O4 — CID 6273602

IUPAC3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3cc(OC)ccc3OC)n[nH]2)cc1
InChIInChI=1S/C22H24N4O4/c1-5-30-16-8-6-15(7-9-16)14(2)23-26-22(27)20-13-19(24-25-20)18-12-17(28-3)10-11-21(18)29-4/h6-13H,5H2,1-4H3,(H,24,25)(H,26,27)/b23-14-
InChIKeyFGGWQWNHXVUMFK-UCQKPKSFSA-N
MW408.46 g/mol
LogP3.65
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6273602) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6273602
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3cc(OC)ccc3OC)n[nH]2)cc1
InChIInChI=1S/C22H24N4O4/c1-5-30-16-8-6-15(7-9-16)14(2)23-26-22(27)20-13-19(24-25-20)18-12-17(28-3)10-11-21(18)29-4/h6-13H,5H2,1-4H3,(H,24,25)(H,26,27)/b23-14-
InChIKeyFGGWQWNHXVUMFK-UCQKPKSFSA-N
XLogP3.65
TPSA97.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 4652301
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
3-(2-ethoxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547232
3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1128655
3-(2,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4296248
3-(2,5-dimethoxyphenyl)-N-[(4-propoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4308127
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 5081430
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 6273602) is 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is CCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3cc(OC)ccc3OC)n[nH]2)cc1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is FGGWQWNHXVUMFK-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-5-30-16-8-6-15(7-9-16)14(2)23-26-22(27)20-13-19(24-25-20)18-12-17(28-3)10-11-21(18)29-4/h6-13H,5H2,1-4H3,(H,24,25)(H,26,27)/b23-14-.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6273602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).