methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

C11H11Cl2N3O2 — CID 86670281

IUPACmethyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2c(Cl)c(C)nn2c1Cl
InChIInChI=1S/C11H11Cl2N3O2/c1-5-7(4-8(17)18-3)10(13)16-11(14-5)9(12)6(2)15-16/h4H2,1-3H3
InChIKeyZDRVBGBBYGMALG-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.37
Rot. Bonds2

About methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 86670281) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID86670281
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Namemethyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2c(Cl)c(C)nn2c1Cl
InChIInChI=1S/C11H11Cl2N3O2/c1-5-7(4-8(17)18-3)10(13)16-11(14-5)9(12)6(2)15-16/h4H2,1-3H3
InChIKeyZDRVBGBBYGMALG-UHFFFAOYSA-N
XLogP2.37
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 86670281) is methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is COC(=O)Cc1c(C)nc2c(Cl)c(C)nn2c1Cl.
What is the InChIKey of methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is ZDRVBGBBYGMALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-5-7(4-8(17)18-3)10(13)16-11(14-5)9(12)6(2)15-16/h4H2,1-3H3.
What are the key properties of methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 288.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 86670281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).