2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide

C13H15N3O2 — CID 39776096

IUPAC2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCc1cc(-c2cnn(C)c2)ccc1OCC(N)=O
InChIInChI=1S/C13H15N3O2/c1-9-5-10(11-6-15-16(2)7-11)3-4-12(9)18-8-13(14)17/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyICYVDZKAIQBIEW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.26
Rot. Bonds4

About 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide

2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide (PubChem CID 39776096) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide
PubChem CID39776096
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCc1cc(-c2cnn(C)c2)ccc1OCC(N)=O
InChIInChI=1S/C13H15N3O2/c1-9-5-10(11-6-15-16(2)7-11)3-4-12(9)18-8-13(14)17/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyICYVDZKAIQBIEW-UHFFFAOYSA-N
XLogP1.26
TPSA70.14 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The IUPAC name of 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide (CID 39776096) is 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The canonical SMILES for 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide is Cc1cc(-c2cnn(C)c2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The InChIKey is ICYVDZKAIQBIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-5-10(11-6-15-16(2)7-11)3-4-12(9)18-8-13(14)17/h3-7H,8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 39776096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).