2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide

C15H19N3O3 — CID 35281821

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C15H19N3O3/c1-4-18-10-12(9-16-18)17-15(19)8-11-5-6-13(20-2)14(7-11)21-3/h5-7,9-10H,4,8H2,1-3H3,(H,17,19)
InChIKeyFAOYGXCXKXZGPX-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.10
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 35281821) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide
PubChem CID35281821
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C15H19N3O3/c1-4-18-10-12(9-16-18)17-15(19)8-11-5-6-13(20-2)14(7-11)21-3/h5-7,9-10H,4,8H2,1-3H3,(H,17,19)
InChIKeyFAOYGXCXKXZGPX-UHFFFAOYSA-N
XLogP2.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.10
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-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide (CID 35281821) is 2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)Cc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is FAOYGXCXKXZGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18-10-12(9-16-18)17-15(19)8-11-5-6-13(20-2)14(7-11)21-3/h5-7,9-10H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.10, 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-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 35281821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).