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

C13H16ClN3O2 — CID 87327448

IUPACmethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc2ccnn2c1Cl
InChIInChI=1S/C13H16ClN3O2/c1-4-5-9(13(18)19-3)11-8(2)16-10-6-7-15-17(10)12(11)14/h6-7,9H,4-5H2,1-3H3
InChIKeyMIQALTBXGAJKIV-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.75
Rot. Bonds4

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

methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (PubChem CID 87327448) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
PubChem CID87327448
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Namemethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc2ccnn2c1Cl
InChIInChI=1S/C13H16ClN3O2/c1-4-5-9(13(18)19-3)11-8(2)16-10-6-7-15-17(10)12(11)14/h6-7,9H,4-5H2,1-3H3
InChIKeyMIQALTBXGAJKIV-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The IUPAC name of methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (CID 87327448) is methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.
What is the SMILES notation for methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The canonical SMILES for methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is CCCC(C(=O)OC)c1c(C)nc2ccnn2c1Cl.
What is the InChIKey of methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The InChIKey is MIQALTBXGAJKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-4-5-9(13(18)19-3)11-8(2)16-10-6-7-15-17(10)12(11)14/h6-7,9H,4-5H2,1-3H3.
What are the key properties of methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate has a molecular weight of 281.74 g/mol, XLogP of 2.75, 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-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is sourced from PubChem (CID 87327448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).