3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H14F3N3O2 — CID 82273539

IUPAC3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1c[nH]n2c(=O)c(CC(F)(F)F)c(C)nc12
InChIInChI=1S/C16H14F3N3O2/c1-9-11(7-16(17,18)19)15(23)22-14(21-9)12(8-20-22)10-5-3-4-6-13(10)24-2/h3-6,8,20H,7H2,1-2H3
InChIKeyLTJKMGKZCGOACT-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.11
Rot. Bonds3

About 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273539) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273539
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1c[nH]n2c(=O)c(CC(F)(F)F)c(C)nc12
InChIInChI=1S/C16H14F3N3O2/c1-9-11(7-16(17,18)19)15(23)22-14(21-9)12(8-20-22)10-5-3-4-6-13(10)24-2/h3-6,8,20H,7H2,1-2H3
InChIKeyLTJKMGKZCGOACT-UHFFFAOYSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273454
3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273540
5-methyl-3-(4-nitrophenyl)-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273557
6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273493
5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273472
6-[(2-fluorophenyl)methyl]-5-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273470
3-[3-(3-bromophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 82274156
6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273441
6-benzyl-2-[(2-methoxyanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50748800
6-benzyl-2,5-dimethyl-3-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155184493
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82625684

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273539) is 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccccc1-c1c[nH]n2c(=O)c(CC(F)(F)F)c(C)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LTJKMGKZCGOACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-9-11(7-16(17,18)19)15(23)22-14(21-9)12(8-20-22)10-5-3-4-6-13(10)24-2/h3-6,8,20H,7H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 337.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).