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

C14H17N3O3 — CID 32610757

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-17-9-11(8-15-17)16-14(18)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,8-9H,7H2,1-3H3,(H,16,18)
InChIKeyIABOUVDWQNCGMZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.62
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 32610757) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID32610757
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-17-9-11(8-15-17)16-14(18)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,8-9H,7H2,1-3H3,(H,16,18)
InChIKeyIABOUVDWQNCGMZ-UHFFFAOYSA-N
XLogP1.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.62
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-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide (CID 32610757) is 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide is COc1ccc(CC(=O)Nc2cnn(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is IABOUVDWQNCGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-9-11(8-15-17)16-14(18)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,8-9H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.62, 5 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-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 32610757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).