2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol

C19H14FN3O2 — CID 135634386

IUPAC2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2ccnc3c(-c4ccc(F)cc4)cnn23)c(O)c1
InChIInChI=1S/C19H14FN3O2/c1-25-14-6-7-15(18(24)10-14)17-8-9-21-19-16(11-22-23(17)19)12-2-4-13(20)5-3-12/h2-11,24H,1H3
InChIKeyUDYLWMMTBLBOSN-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.92
Rot. Bonds3

About 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol

2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol (PubChem CID 135634386) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol
PubChem CID135634386
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2ccnc3c(-c4ccc(F)cc4)cnn23)c(O)c1
InChIInChI=1S/C19H14FN3O2/c1-25-14-6-7-15(18(24)10-14)17-8-9-21-19-16(11-22-23(17)19)12-2-4-13(20)5-3-12/h2-11,24H,1H3
InChIKeyUDYLWMMTBLBOSN-UHFFFAOYSA-N
XLogP3.92
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol?
The IUPAC name of 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol (CID 135634386) is 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol?
The canonical SMILES for 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol is COc1ccc(-c2ccnc3c(-c4ccc(F)cc4)cnn23)c(O)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol?
The InChIKey is UDYLWMMTBLBOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-25-14-6-7-15(18(24)10-14)17-8-9-21-19-16(11-22-23(17)19)12-2-4-13(20)5-3-12/h2-11,24H,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol?
2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol has a molecular weight of 335.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methoxyphenol is sourced from PubChem (CID 135634386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).