N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide

C20H18Cl2N4O2 — CID 6888557

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C20H18Cl2N4O2/c1-3-28-16-8-5-13(6-9-16)18-12(2)19(25-24-18)20(27)26-23-11-14-4-7-15(21)10-17(14)22/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)/b23-11+
InChIKeyGMZHWGIRULOVAN-FOKLQQMPSA-N
MW417.30 g/mol
LogP4.85
Rot. Bonds6

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 6888557) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID6888557
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C20H18Cl2N4O2/c1-3-28-16-8-5-13(6-9-16)18-12(2)19(25-24-18)20(27)26-23-11-14-4-7-15(21)10-17(14)22/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)/b23-11+
InChIKeyGMZHWGIRULOVAN-FOKLQQMPSA-N
XLogP4.85
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.85
H-Bond Donors ≤ 52
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-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1184922
3-(4-ethoxyphenyl)-4-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6864672
3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 950350
3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6869967
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6888323
N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 761031
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
3-(4-chlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891280
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 40609257
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6863444
N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 174239513

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide (CID 6888557) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2C)cc1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is GMZHWGIRULOVAN-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-3-28-16-8-5-13(6-9-16)18-12(2)19(25-24-18)20(27)26-23-11-14-4-7-15(21)10-17(14)22/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)/b23-11+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6888557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).