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

C10H10ClN3O2 — CID 86674707

IUPACmethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2ccnn2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-6-7(5-9(15)16-2)10(11)14-8(13-6)3-4-12-14/h3-4H,5H2,1-2H3
InChIKeyWCAAOXSRBJGMHT-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.41
Rot. Bonds2

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

methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 86674707) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID86674707
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Namemethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2ccnn2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-6-7(5-9(15)16-2)10(11)14-8(13-6)3-4-12-14/h3-4H,5H2,1-2H3
InChIKeyWCAAOXSRBJGMHT-UHFFFAOYSA-N
XLogP1.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 86674707) is methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is COC(=O)Cc1c(C)nc2ccnn2c1Cl.
What is the InChIKey of methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is WCAAOXSRBJGMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-6-7(5-9(15)16-2)10(11)14-8(13-6)3-4-12-14/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 239.66 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 86674707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).