1-(1-phenylmethoxypyrazol-4-yl)ethanone

C12H12N2O2 — CID 11127668

IUPAC1-(1-phenylmethoxypyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(OCc2ccccc2)c1
InChIInChI=1S/C12H12N2O2/c1-10(15)12-7-13-14(8-12)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyYOXBBDMMNCKRRT-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.71
Rot. Bonds4

About 1-(1-phenylmethoxypyrazol-4-yl)ethanone

1-(1-phenylmethoxypyrazol-4-yl)ethanone (PubChem CID 11127668) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(1-phenylmethoxypyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-phenylmethoxypyrazol-4-yl)ethanone
PubChem CID11127668
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(1-phenylmethoxypyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(OCc2ccccc2)c1
InChIInChI=1S/C12H12N2O2/c1-10(15)12-7-13-14(8-12)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyYOXBBDMMNCKRRT-UHFFFAOYSA-N
XLogP1.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylmethoxypyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-phenylmethoxypyrazol-4-yl)ethanone (CID 11127668) is 1-(1-phenylmethoxypyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-phenylmethoxypyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-phenylmethoxypyrazol-4-yl)ethanone is CC(=O)c1cnn(OCc2ccccc2)c1.
What is the InChIKey of 1-(1-phenylmethoxypyrazol-4-yl)ethanone?
The InChIKey is YOXBBDMMNCKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-10(15)12-7-13-14(8-12)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-(1-phenylmethoxypyrazol-4-yl)ethanone?
1-(1-phenylmethoxypyrazol-4-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylmethoxypyrazol-4-yl)ethanone is sourced from PubChem (CID 11127668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).