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

C14H15ClN2O2 — CID 753828

IUPAC2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C14H15ClN2O2/c1-9-6-12(15)4-5-13(9)19-8-14(18)17-11(3)7-10(2)16-17/h4-7H,8H2,1-3H3
InChIKeyQSYWBBSYEPXPRS-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.18
Rot. Bonds3

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

2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 753828) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID753828
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C14H15ClN2O2/c1-9-6-12(15)4-5-13(9)19-8-14(18)17-11(3)7-10(2)16-17/h4-7H,8H2,1-3H3
InChIKeyQSYWBBSYEPXPRS-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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)ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CID 753828) is 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(C(=O)COc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is QSYWBBSYEPXPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-6-12(15)4-5-13(9)19-8-14(18)17-11(3)7-10(2)16-17/h4-7H,8H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 278.74 g/mol, XLogP of 3.18, 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)ethanone is sourced from PubChem (CID 753828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).