2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide

C20H21N3O3 — CID 141484719

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-14-4-7-17(8-5-14)23-13-16(12-21-23)22-20(24)11-15-6-9-18(25-2)19(10-15)26-3/h4-10,12-13H,11H2,1-3H3,(H,22,24)
InChIKeyXCEUUSPWEPDPKS-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.38
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide (PubChem CID 141484719) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide
PubChem CID141484719
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-14-4-7-17(8-5-14)23-13-16(12-21-23)22-20(24)11-15-6-9-18(25-2)19(10-15)26-3/h4-10,12-13H,11H2,1-3H3,(H,22,24)
InChIKeyXCEUUSPWEPDPKS-UHFFFAOYSA-N
XLogP3.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide (CID 141484719) is 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide is COc1ccc(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The InChIKey is XCEUUSPWEPDPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-4-7-17(8-5-14)23-13-16(12-21-23)22-20(24)11-15-6-9-18(25-2)19(10-15)26-3/h4-10,12-13H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 141484719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).