methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

C10H9BrClN3O2 — CID 86670270

IUPACmethyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2cc(Br)nn2c1Cl
InChIInChI=1S/C10H9BrClN3O2/c1-5-6(3-9(16)17-2)10(12)15-8(13-5)4-7(11)14-15/h4H,3H2,1-2H3
InChIKeyQTTIYELOTIEZCH-UHFFFAOYSA-N
MW318.56 g/mol
LogP2.17
Rot. Bonds2

About methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 86670270) has the molecular formula C10H9BrClN3O2 and a molecular weight of 318.56 g/mol. Its IUPAC name is methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID86670270
Molecular FormulaC10H9BrClN3O2
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Namemethyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2cc(Br)nn2c1Cl
InChIInChI=1S/C10H9BrClN3O2/c1-5-6(3-9(16)17-2)10(12)15-8(13-5)4-7(11)14-15/h4H,3H2,1-2H3
InChIKeyQTTIYELOTIEZCH-UHFFFAOYSA-N
XLogP2.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 86670270) is methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is COC(=O)Cc1c(C)nc2cc(Br)nn2c1Cl.
What is the InChIKey of methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is QTTIYELOTIEZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O2/c1-5-6(3-9(16)17-2)10(12)15-8(13-5)4-7(11)14-15/h4H,3H2,1-2H3.
What are the key properties of methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 318.56 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 86670270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).