2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide

C12H13N3O2 — CID 71996952

IUPAC2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(Cn2cccn2)c1
InChIInChI=1S/C12H13N3O2/c13-12(16)9-17-11-4-1-3-10(7-11)8-15-6-2-5-14-15/h1-7H,8-9H2,(H2,13,16)
InChIKeyLAYWPLGMFSKDOZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.80
Rot. Bonds5

About 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide

2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide (PubChem CID 71996952) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide
PubChem CID71996952
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(Cn2cccn2)c1
InChIInChI=1S/C12H13N3O2/c13-12(16)9-17-11-4-1-3-10(7-11)8-15-6-2-5-14-15/h1-7H,8-9H2,(H2,13,16)
InChIKeyLAYWPLGMFSKDOZ-UHFFFAOYSA-N
XLogP0.80
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide?
The IUPAC name of 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide (CID 71996952) is 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide?
The canonical SMILES for 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide is NC(=O)COc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide?
The InChIKey is LAYWPLGMFSKDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-12(16)9-17-11-4-1-3-10(7-11)8-15-6-2-5-14-15/h1-7H,8-9H2,(H2,13,16).
What are the key properties of 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide?
2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide has a molecular weight of 231.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrazol-1-ylmethyl)phenoxy]acetamide is sourced from PubChem (CID 71996952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).