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

C14H15ClN2O2 — CID 3123145

IUPAC2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2O2/c1-9-8-10(2)17(16-9)14(18)11(3)19-13-6-4-12(15)5-7-13/h4-8,11H,1-3H3
InChIKeyGKMXWVBYVZOWGB-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.26
Rot. Bonds3

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

2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 3123145) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID3123145
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2O2/c1-9-8-10(2)17(16-9)14(18)11(3)19-13-6-4-12(15)5-7-13/h4-8,11H,1-3H3
InChIKeyGKMXWVBYVZOWGB-UHFFFAOYSA-N
XLogP3.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 3123145) is 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(C(=O)C(C)Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is GKMXWVBYVZOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-8-10(2)17(16-9)14(18)11(3)19-13-6-4-12(15)5-7-13/h4-8,11H,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one?
2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 278.74 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 3123145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).