1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide

C21H23N3O3 — CID 42755570

IUPAC1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCONC(=O)c1cc(-c2cccc(OC)c2)nn1-c1cc(C)ccc1C
InChIInChI=1S/C21H23N3O3/c1-5-27-23-21(25)20-13-18(16-7-6-8-17(12-16)26-4)22-24(20)19-11-14(2)9-10-15(19)3/h6-13H,5H2,1-4H3,(H,23,25)
InChIKeyZCIWIOQYPSRCIN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.85
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide

1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 42755570) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID42755570
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCONC(=O)c1cc(-c2cccc(OC)c2)nn1-c1cc(C)ccc1C
InChIInChI=1S/C21H23N3O3/c1-5-27-23-21(25)20-13-18(16-7-6-8-17(12-16)26-4)22-24(20)19-11-14(2)9-10-15(19)3/h6-13H,5H2,1-4H3,(H,23,25)
InChIKeyZCIWIOQYPSRCIN-UHFFFAOYSA-N
XLogP3.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
ethyl 1-[1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 4211576
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide
CID 4694065
N-butyl-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3993802
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660639
1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5195626
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3348957
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
[1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42660638
1-(2,4-dimethylphenyl)-N-ethoxy-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4202277
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429
3-(3,4-dimethylphenyl)-N-ethoxy-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3893461

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide (CID 42755570) is 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide is CCONC(=O)c1cc(-c2cccc(OC)c2)nn1-c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is ZCIWIOQYPSRCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-5-27-23-21(25)20-13-18(16-7-6-8-17(12-16)26-4)22-24(20)19-11-14(2)9-10-15(19)3/h6-13H,5H2,1-4H3,(H,23,25).
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide?
1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).