3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H11F3N4O — CID 70925349

IUPAC3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)12-6-4-11(5-7-12)15-9-16(26)25-17(24-15)13(10-23-25)14-3-1-2-8-22-14/h1-10,23H
InChIKeyPUHXCDIKCTVJAS-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.77
Rot. Bonds2

About 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925349) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925349
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)12-6-4-11(5-7-12)15-9-16(26)25-17(24-15)13(10-23-25)14-3-1-2-8-22-14/h1-10,23H
InChIKeyPUHXCDIKCTVJAS-UHFFFAOYSA-N
XLogP3.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925349) is 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)nc2c(-c3ccccn3)c[nH]n12.
What is the InChIKey of 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PUHXCDIKCTVJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)12-6-4-11(5-7-12)15-9-16(26)25-17(24-15)13(10-23-25)14-3-1-2-8-22-14/h1-10,23H.
What are the key properties of 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 356.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).