[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate

C12H11ClN2O2 — CID 121015739

IUPAC[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate
SMILESCC(=O)Oc1cc(C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2/c1-8-7-12(17-9(2)16)15(14-8)11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKeyMLSCJPXMAJTRLJ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.76
Rot. Bonds2

About [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate

[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate (PubChem CID 121015739) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate
PubChem CID121015739
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate
SMILESCC(=O)Oc1cc(C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2/c1-8-7-12(17-9(2)16)15(14-8)11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKeyMLSCJPXMAJTRLJ-UHFFFAOYSA-N
XLogP2.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate
CID 7465311
1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole
CID 2318102
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate
CID 17122164
[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl] 4-methylbenzoate
CID 42657995
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98385076
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
CID 2511372
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane
CID 91380577
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate?
The IUPAC name of [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate (CID 121015739) is [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate?
The canonical SMILES for [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate is CC(=O)Oc1cc(C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate?
The InChIKey is MLSCJPXMAJTRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-7-12(17-9(2)16)15(14-8)11-5-3-10(13)4-6-11/h3-7H,1-2H3.
What are the key properties of [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate?
[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate has a molecular weight of 250.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate is sourced from PubChem (CID 121015739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).