1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone

C9H12N2O — CID 123404805

IUPAC1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone
SMILESCC=c1cnn(C(C)=O)c1=CC
InChIInChI=1S/C9H12N2O/c1-4-8-6-10-11(7(3)12)9(8)5-2/h4-6H,1-3H3
InChIKeyJNZPZFCAUIKLOA-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.14
Rot. Bonds

About 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone

1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone (PubChem CID 123404805) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone
PubChem CID123404805
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone
SMILESCC=c1cnn(C(C)=O)c1=CC
InChIInChI=1S/C9H12N2O/c1-4-8-6-10-11(7(3)12)9(8)5-2/h4-6H,1-3H3
InChIKeyJNZPZFCAUIKLOA-UHFFFAOYSA-N
XLogP0.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone (CID 123404805) is 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone is CC=c1cnn(C(C)=O)c1=CC.
What is the InChIKey of 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone?
The InChIKey is JNZPZFCAUIKLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-8-6-10-11(7(3)12)9(8)5-2/h4-6H,1-3H3.
What are the key properties of 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone?
1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone has a molecular weight of 164.21 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-di(ethylidene)pyrazol-1-yl]ethanone is sourced from PubChem (CID 123404805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).