1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide

C22H25N3O3 — CID 5195626

IUPAC1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1cc(C)ccc1C
InChIInChI=1S/C22H25N3O3/c1-15-5-6-16(2)20(13-15)25-21(22(26)23-11-12-27-3)14-19(24-25)17-7-9-18(28-4)10-8-17/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)
InChIKeyCDQHRMWLLWFGBM-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.54
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide

1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 5195626) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID5195626
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1cc(C)ccc1C
InChIInChI=1S/C22H25N3O3/c1-15-5-6-16(2)20(13-15)25-21(22(26)23-11-12-27-3)14-19(24-25)17-7-9-18(28-4)10-8-17/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)
InChIKeyCDQHRMWLLWFGBM-UHFFFAOYSA-N
XLogP3.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3993802
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42755416
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 4320538
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755261
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 42755570
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 42755387

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide (CID 5195626) is 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide is COCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is CDQHRMWLLWFGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-5-6-16(2)20(13-15)25-21(22(26)23-11-12-27-3)14-19(24-25)17-7-9-18(28-4)10-8-17/h5-10,13-14H,11-12H2,1-4H3,(H,23,26).
What are the key properties of 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.54, 7 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-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5195626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).