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

C13H16ClN3O2 — CID 86674709

IUPACmethyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCCc1cc2nc(C)c(CC(=O)OC)c(Cl)n2n1
InChIInChI=1S/C13H16ClN3O2/c1-4-5-9-6-11-15-8(2)10(7-12(18)19-3)13(14)17(11)16-9/h6H,4-5,7H2,1-3H3
InChIKeyAYXLLICAKRTTTG-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.36
Rot. Bonds4

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

methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 86674709) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID86674709
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Namemethyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCCc1cc2nc(C)c(CC(=O)OC)c(Cl)n2n1
InChIInChI=1S/C13H16ClN3O2/c1-4-5-9-6-11-15-8(2)10(7-12(18)19-3)13(14)17(11)16-9/h6H,4-5,7H2,1-3H3
InChIKeyAYXLLICAKRTTTG-UHFFFAOYSA-N
XLogP2.36
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 86674709) is methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is CCCc1cc2nc(C)c(CC(=O)OC)c(Cl)n2n1.
What is the InChIKey of methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is AYXLLICAKRTTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-4-5-9-6-11-15-8(2)10(7-12(18)19-3)13(14)17(11)16-9/h6H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 281.74 g/mol, XLogP of 2.36, 4 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-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 86674709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).