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

C15H17ClN2O2 — CID 2880812

IUPAC2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H17ClN2O2/c1-9-7-13(16)5-6-14(9)20-12(4)15(19)18-11(3)8-10(2)17-18/h5-8,12H,1-4H3
InChIKeyKJOAMUNSQHRQCE-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.57
Rot. Bonds3

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

2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 2880812) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID2880812
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H17ClN2O2/c1-9-7-13(16)5-6-14(9)20-12(4)15(19)18-11(3)8-10(2)17-18/h5-8,12H,1-4H3
InChIKeyKJOAMUNSQHRQCE-UHFFFAOYSA-N
XLogP3.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 2880812) is 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is KJOAMUNSQHRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-7-13(16)5-6-14(9)20-12(4)15(19)18-11(3)8-10(2)17-18/h5-8,12H,1-4H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 292.77 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 2880812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).