2-phenoxy-1-pyrazol-1-ylethanone

C11H10N2O2 — CID 3347292

IUPAC2-phenoxy-1-pyrazol-1-ylethanone
SMILESO=C(COc1ccccc1)n1cccn1
InChIInChI=1S/C11H10N2O2/c14-11(13-8-4-7-12-13)9-15-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyWHLBZVDDMIGFEB-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.60
Rot. Bonds3

About 2-phenoxy-1-pyrazol-1-ylethanone

2-phenoxy-1-pyrazol-1-ylethanone (PubChem CID 3347292) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-phenoxy-1-pyrazol-1-ylethanone.

Molecular Properties

Compound Name2-phenoxy-1-pyrazol-1-ylethanone
PubChem CID3347292
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-phenoxy-1-pyrazol-1-ylethanone
SMILESO=C(COc1ccccc1)n1cccn1
InChIInChI=1S/C11H10N2O2/c14-11(13-8-4-7-12-13)9-15-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyWHLBZVDDMIGFEB-UHFFFAOYSA-N
XLogP1.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110871172
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
4-(4-fluorophenoxy)-1-pyrazol-1-ylbutan-1-one
CID 110464768
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
2-(benzylamino)-1-pyrazol-1-ylethanone
CID 141299759
2-phenoxyacetic acid;titanium
CID 174896747
(4-ethoxyphenyl)-pyrazol-1-ylmethanone
CID 3502430
1-(3-methylphenyl)-3-[3-(2-oxo-2-pyrazol-1-ylethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4,6-trione
CID 150687400
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126
1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-pyrazol-1-ylethanone?
The IUPAC name of 2-phenoxy-1-pyrazol-1-ylethanone (CID 3347292) is 2-phenoxy-1-pyrazol-1-ylethanone.
What is the SMILES notation for 2-phenoxy-1-pyrazol-1-ylethanone?
The canonical SMILES for 2-phenoxy-1-pyrazol-1-ylethanone is O=C(COc1ccccc1)n1cccn1.
What is the InChIKey of 2-phenoxy-1-pyrazol-1-ylethanone?
The InChIKey is WHLBZVDDMIGFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(13-8-4-7-12-13)9-15-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-phenoxy-1-pyrazol-1-ylethanone?
2-phenoxy-1-pyrazol-1-ylethanone has a molecular weight of 202.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-pyrazol-1-ylethanone is sourced from PubChem (CID 3347292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).