3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide

C22H25N3O4 — CID 4553947

IUPAC3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccc(OC)c2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C22H25N3O4/c1-27-13-5-12-23-22(26)21-15-20(16-6-4-7-19(14-16)29-3)24-25(21)17-8-10-18(28-2)11-9-17/h4,6-11,14-15H,5,12-13H2,1-3H3,(H,23,26)
InChIKeyXKGMBYYIZWBPPK-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.32
Rot. Bonds9

About 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide (PubChem CID 4553947) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
PubChem CID4553947
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccc(OC)c2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C22H25N3O4/c1-27-13-5-12-23-22(26)21-15-20(16-6-4-7-19(14-16)29-3)24-25(21)17-8-10-18(28-2)11-9-17/h4,6-11,14-15H,5,12-13H2,1-3H3,(H,23,26)
InChIKeyXKGMBYYIZWBPPK-UHFFFAOYSA-N
XLogP3.32
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 42755387
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7397387
1-(3-chlorophenyl)-N-(3-methoxypropyl)-3-phenylpyrazole-5-carboxamide
CID 4561302
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 5254174

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide (CID 4553947) is 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide is COCCCNC(=O)c1cc(-c2cccc(OC)c2)nn1-c1ccc(OC)cc1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The InChIKey is XKGMBYYIZWBPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-13-5-12-23-22(26)21-15-20(16-6-4-7-19(14-16)29-3)24-25(21)17-8-10-18(28-2)11-9-17/h4,6-11,14-15H,5,12-13H2,1-3H3,(H,23,26).
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4553947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).