5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H11F4N3O — CID 171140481

IUPAC5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cccc(F)c2)nc2c(-c3cccc(C(F)(F)F)c3)c[nH]n12
InChIInChI=1S/C19H11F4N3O/c20-14-6-2-4-12(8-14)16-9-17(27)26-18(25-16)15(10-24-26)11-3-1-5-13(7-11)19(21,22)23/h1-10,24H
InChIKeySEXDSUCCWUQHFE-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.51
Rot. Bonds2

About 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 171140481) has the molecular formula C19H11F4N3O and a molecular weight of 373.31 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID171140481
Molecular FormulaC19H11F4N3O
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cccc(F)c2)nc2c(-c3cccc(C(F)(F)F)c3)c[nH]n12
InChIInChI=1S/C19H11F4N3O/c20-14-6-2-4-12(8-14)16-9-17(27)26-18(25-16)15(10-24-26)11-3-1-5-13(7-11)19(21,22)23/h1-10,24H
InChIKeySEXDSUCCWUQHFE-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925446
3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925349
5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606555
4-(3-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000859
3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 675415
3-(4-phenylthiophen-2-yl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70221241
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10514153
N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155775673
2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene
CID 46312833

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 171140481) is 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2cccc(F)c2)nc2c(-c3cccc(C(F)(F)F)c3)c[nH]n12.
What is the InChIKey of 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SEXDSUCCWUQHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3O/c20-14-6-2-4-12(8-14)16-9-17(27)26-18(25-16)15(10-24-26)11-3-1-5-13(7-11)19(21,22)23/h1-10,24H.
What are the key properties of 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 373.31 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 171140481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).