2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one

C14H14Cl2N2O2 — CID 2898758

IUPAC2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O2/c1-8-6-9(2)18(17-8)14(19)10(3)20-13-5-4-11(15)7-12(13)16/h4-7,10H,1-3H3
InChIKeyPRGDIVKEPJSPMS-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.91
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one

2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 2898758) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID2898758
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O2/c1-8-6-9(2)18(17-8)14(19)10(3)20-13-5-4-11(15)7-12(13)16/h4-7,10H,1-3H3
InChIKeyPRGDIVKEPJSPMS-UHFFFAOYSA-N
XLogP3.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 2898758) is 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is PRGDIVKEPJSPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-8-6-9(2)18(17-8)14(19)10(3)20-13-5-4-11(15)7-12(13)16/h4-7,10H,1-3H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 313.18 g/mol, XLogP of 3.91, 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-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 2898758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).