4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one

C15H15N3O3 — CID 100673006

IUPAC4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccccc1OCCn1c(=O)ccn2nccc12
InChIInChI=1S/C15H15N3O3/c1-20-12-4-2-3-5-13(12)21-11-10-17-14-6-8-16-18(14)9-7-15(17)19/h2-9H,10-11H2,1H3
InChIKeyDALJDNPNWIUIPQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.58
Rot. Bonds5

About 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one

4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 100673006) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID100673006
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccccc1OCCn1c(=O)ccn2nccc12
InChIInChI=1S/C15H15N3O3/c1-20-12-4-2-3-5-13(12)21-11-10-17-14-6-8-16-18(14)9-7-15(17)19/h2-9H,10-11H2,1H3
InChIKeyDALJDNPNWIUIPQ-UHFFFAOYSA-N
XLogP1.58
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one (CID 100673006) is 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one is COc1ccccc1OCCn1c(=O)ccn2nccc12.
What is the InChIKey of 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is DALJDNPNWIUIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-12-4-2-3-5-13(12)21-11-10-17-14-6-8-16-18(14)9-7-15(17)19/h2-9H,10-11H2,1H3.
What are the key properties of 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one?
4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 285.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 100673006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).