6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H11F2N3O2 — CID 66836862

IUPAC6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2cc[nH]n2c(=O)c1Oc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O2/c1-2-11-13(14(20)19-12(18-11)5-6-17-19)21-8-3-4-9(15)10(16)7-8/h3-7,17H,2H2,1H3
InChIKeyHNVSNWBDRQAXMR-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.66
Rot. Bonds3

About 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 66836862) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID66836862
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2cc[nH]n2c(=O)c1Oc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O2/c1-2-11-13(14(20)19-12(18-11)5-6-17-19)21-8-3-4-9(15)10(16)7-8/h3-7,17H,2H2,1H3
InChIKeyHNVSNWBDRQAXMR-UHFFFAOYSA-N
XLogP2.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 66836862) is 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1nc2cc[nH]n2c(=O)c1Oc1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HNVSNWBDRQAXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-2-11-13(14(20)19-12(18-11)5-6-17-19)21-8-3-4-9(15)10(16)7-8/h3-7,17H,2H2,1H3.
What are the key properties of 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 291.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenoxy)-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66836862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).