[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate

C13H14N2O2 — CID 7465311

IUPAC[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate
SMILESCC(=O)Oc1cc(C)nn1-c1ccc(C)cc1
InChIInChI=1S/C13H14N2O2/c1-9-4-6-12(7-5-9)15-13(17-11(3)16)8-10(2)14-15/h4-8H,1-3H3
InChIKeyAVDRWBCJXCXBBQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.41
Rot. Bonds2

About [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate

[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate (PubChem CID 7465311) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate.

Molecular Properties

Compound Name[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate
PubChem CID7465311
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate
SMILESCC(=O)Oc1cc(C)nn1-c1ccc(C)cc1
InChIInChI=1S/C13H14N2O2/c1-9-4-6-12(7-5-9)15-13(17-11(3)16)8-10(2)14-15/h4-8H,1-3H3
InChIKeyAVDRWBCJXCXBBQ-UHFFFAOYSA-N
XLogP2.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate
CID 121015739
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate
CID 17122164
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane
CID 91380577
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl] 3-chloro-2,2-dimethylpropanoate
CID 42728052
2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]oxysulfonylbenzoic acid
CID 22696558
(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate
CID 155801902
3-methyl-1,5-bis(4-methylphenyl)pyrazole
CID 59881727
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
CID 150185883
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole
CID 2318102

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate?
The IUPAC name of [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate (CID 7465311) is [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate.
What is the SMILES notation for [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate?
The canonical SMILES for [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate is CC(=O)Oc1cc(C)nn1-c1ccc(C)cc1.
What is the InChIKey of [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate?
The InChIKey is AVDRWBCJXCXBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-4-6-12(7-5-9)15-13(17-11(3)16)8-10(2)14-15/h4-8H,1-3H3.
What are the key properties of [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate?
[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate has a molecular weight of 230.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] acetate is sourced from PubChem (CID 7465311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).