2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone

C11H8Cl2N2O2 — CID 887775

IUPAC2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)n1cccn1
InChIInChI=1S/C11H8Cl2N2O2/c12-8-2-3-10(9(13)6-8)17-7-11(16)15-5-1-4-14-15/h1-6H,7H2
InChIKeyTVUVIAXFDCQSSZ-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.91
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone

2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone (PubChem CID 887775) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone
PubChem CID887775
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)n1cccn1
InChIInChI=1S/C11H8Cl2N2O2/c12-8-2-3-10(9(13)6-8)17-7-11(16)15-5-1-4-14-15/h1-6H,7H2
InChIKeyTVUVIAXFDCQSSZ-UHFFFAOYSA-N
XLogP2.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone (CID 887775) is 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone is O=C(COc1ccc(Cl)cc1Cl)n1cccn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone?
The InChIKey is TVUVIAXFDCQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c12-8-2-3-10(9(13)6-8)17-7-11(16)15-5-1-4-14-15/h1-6H,7H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone?
2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone has a molecular weight of 271.10 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-pyrazol-1-ylethanone is sourced from PubChem (CID 887775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).