2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone

C13H13ClN2O2 — CID 19177834

IUPAC2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)COc2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-9-7-10(2)16(15-9)13(17)8-18-12-6-4-3-5-11(12)14/h3-7H,8H2,1-2H3
InChIKeyJYILUHMBSYIOFV-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.87
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone

2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 19177834) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID19177834
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)COc2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-9-7-10(2)16(15-9)13(17)8-18-12-6-4-3-5-11(12)14/h3-7H,8H2,1-2H3
InChIKeyJYILUHMBSYIOFV-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl-
CID 83258
1-(3,5-Dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone
CID 730205
1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole
CID 654750
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908
2-(2-chloro-4-fluorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2537230
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 4790151
2-(2,5-dichlorophenoxy)-N'-[(1-methyl-1H-pyrazol-5-yl)methylene]propanohydrazide
CID 6282303
2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 4825974
2-[4-(2-Chlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9965939
2-(4-chlorophenoxy)-1-(3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)ethanone
CID 1352732
2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 25163660
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-(4-methylphenoxy)ethan-1-one
CID 755798

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CID 19177834) is 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(C(=O)COc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is JYILUHMBSYIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-7-10(2)16(15-9)13(17)8-18-12-6-4-3-5-11(12)14/h3-7H,8H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 264.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 19177834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).