1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

C12H14N2O2 — CID 2985256

IUPAC1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)CC2)cc1
InChIInChI=1S/C12H14N2O2/c1-9(15)14-8-7-12(13-14)10-3-5-11(16-2)6-4-10/h3-6H,7-8H2,1-2H3
InChIKeyICBSJEHUKQDJSE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.65
Rot. Bonds2

About 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 2985256) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID2985256
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)CC2)cc1
InChIInChI=1S/C12H14N2O2/c1-9(15)14-8-7-12(13-14)10-3-5-11(16-2)6-4-10/h3-6H,7-8H2,1-2H3
InChIKeyICBSJEHUKQDJSE-UHFFFAOYSA-N
XLogP1.65
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 2985256) is 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is COc1ccc(C2=NN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is ICBSJEHUKQDJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)14-8-7-12(13-14)10-3-5-11(16-2)6-4-10/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 218.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2985256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).