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

C14H18ClN3O2 — CID 86674717

IUPACethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1c(C)nc2ccnn2c1Cl
InChIInChI=1S/C14H18ClN3O2/c1-4-6-10(14(19)20-5-2)12-9(3)17-11-7-8-16-18(11)13(12)15/h7-8,10H,4-6H2,1-3H3
InChIKeyVSLWHQPVAWDQQB-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.14
Rot. Bonds5

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

ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (PubChem CID 86674717) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
PubChem CID86674717
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Nameethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1c(C)nc2ccnn2c1Cl
InChIInChI=1S/C14H18ClN3O2/c1-4-6-10(14(19)20-5-2)12-9(3)17-11-7-8-16-18(11)13(12)15/h7-8,10H,4-6H2,1-3H3
InChIKeyVSLWHQPVAWDQQB-UHFFFAOYSA-N
XLogP3.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The IUPAC name of ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (CID 86674717) is ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.
What is the SMILES notation for ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The canonical SMILES for ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is CCCC(C(=O)OCC)c1c(C)nc2ccnn2c1Cl.
What is the InChIKey of ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The InChIKey is VSLWHQPVAWDQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-4-6-10(14(19)20-5-2)12-9(3)17-11-7-8-16-18(11)13(12)15/h7-8,10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate has a molecular weight of 295.77 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is sourced from PubChem (CID 86674717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).