1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone

C12H12N2O2 — CID 90129522

IUPAC1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone
SMILESCOc1cc(C(C)=O)nn1-c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9(15)11-8-12(16-2)14(13-11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyGPYOXOOHMTXNIP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.08
Rot. Bonds3

About 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone

1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone (PubChem CID 90129522) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone
PubChem CID90129522
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone
SMILESCOc1cc(C(C)=O)nn1-c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9(15)11-8-12(16-2)14(13-11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyGPYOXOOHMTXNIP-UHFFFAOYSA-N
XLogP2.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone (CID 90129522) is 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone is COc1cc(C(C)=O)nn1-c1ccccc1.
What is the InChIKey of 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone?
The InChIKey is GPYOXOOHMTXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9(15)11-8-12(16-2)14(13-11)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone?
1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone is sourced from PubChem (CID 90129522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).