3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide

C22H25N3O4 — CID 4694065

IUPAC3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(OC)cc2OC)nn1-c1ccc(C)cc1C
InChIInChI=1S/C22H25N3O4/c1-6-29-24-22(26)20-13-18(17-9-8-16(27-4)12-21(17)28-5)23-25(20)19-10-7-14(2)11-15(19)3/h7-13H,6H2,1-5H3,(H,24,26)
InChIKeyWLTXWQJOORXKFF-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.85
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide (PubChem CID 4694065) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide
PubChem CID4694065
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(OC)cc2OC)nn1-c1ccc(C)cc1C
InChIInChI=1S/C22H25N3O4/c1-6-29-24-22(26)20-13-18(17-9-8-16(27-4)12-21(17)28-5)23-25(20)19-10-7-14(2)11-15(19)3/h7-13H,6H2,1-5H3,(H,24,26)
InChIKeyWLTXWQJOORXKFF-UHFFFAOYSA-N
XLogP3.85
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 4303586
N-cyclopropyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42759053
ethyl 1-[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5110814
[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42759046
ethyl 1-[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 3951552
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3565112
[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759058
1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 42755570
1-(2,4-dimethylphenyl)-N-ethoxy-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5244242
1-(2,4-dimethylphenyl)-N-ethoxy-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4202277
3,4-dihydro-1H-isoquinolin-2-yl-[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]methanone
CID 5254172
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3925006

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide (CID 4694065) is 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide is CCONC(=O)c1cc(-c2ccc(OC)cc2OC)nn1-c1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide?
The InChIKey is WLTXWQJOORXKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-6-29-24-22(26)20-13-18(17-9-8-16(27-4)12-21(17)28-5)23-25(20)19-10-7-14(2)11-15(19)3/h7-13H,6H2,1-5H3,(H,24,26).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide is sourced from PubChem (CID 4694065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).