2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone

C12H11ClN2O2 — CID 969085

IUPAC2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(C(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2/c1-9-6-7-15(14-9)12(16)8-17-11-4-2-10(13)3-5-11/h2-7H,8H2,1H3
InChIKeyQVEIYLJIJZNBEX-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone

2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone (PubChem CID 969085) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone
PubChem CID969085
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(C(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2/c1-9-6-7-15(14-9)12(16)8-17-11-4-2-10(13)3-5-11/h2-7H,8H2,1H3
InChIKeyQVEIYLJIJZNBEX-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl-
CID 83258
2-(2,4-dichlorophenoxy)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 841892
2-(4-chlorophenoxy)-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-2-methylpropanohydrazide
CID 9616080
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
5-(1-(4-Chlorophenoxy)ethyl)-N-ethyl-1H-pyrazole-1-carboxamide
CID 2764684
2-(4-chlorophenoxy)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-methylpropanohydrazide
CID 9616081
2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 2970278
2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 25163660
2-(3-Chloro-4-fluorophenoxy)-1-pyrazolylethan-1-one
CID 2971337
2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921202
N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide
CID 47036478

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone (CID 969085) is 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone is Cc1ccn(C(=O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone?
The InChIKey is QVEIYLJIJZNBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-9-6-7-15(14-9)12(16)8-17-11-4-2-10(13)3-5-11/h2-7H,8H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone?
2-(4-chlorophenoxy)-1-(3-methylpyrazol-1-yl)ethanone has a molecular weight of 250.69 g/mol, XLogP of 2.56, 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-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 969085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).