2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide

C13H15N3O2 — CID 19405140

IUPAC2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccn(C)n1
InChIInChI=1S/C13H15N3O2/c1-10-5-3-4-6-11(10)18-9-13(17)14-12-7-8-16(2)15-12/h3-8H,9H2,1-2H3,(H,14,15,17)
InChIKeyDJFXMHAELCWWOV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.75
Rot. Bonds4

About 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide

2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 19405140) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID19405140
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccn(C)n1
InChIInChI=1S/C13H15N3O2/c1-10-5-3-4-6-11(10)18-9-13(17)14-12-7-8-16(2)15-12/h3-8H,9H2,1-2H3,(H,14,15,17)
InChIKeyDJFXMHAELCWWOV-UHFFFAOYSA-N
XLogP1.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide (CID 19405140) is 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide is Cc1ccccc1OCC(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is DJFXMHAELCWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-5-3-4-6-11(10)18-9-13(17)14-12-7-8-16(2)15-12/h3-8H,9H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 19405140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).