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

C15H12F3N3O — CID 82273454

IUPAC5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c[nH]n2c(=O)c1CC(F)(F)F
InChIInChI=1S/C15H12F3N3O/c1-9-11(7-15(16,17)18)14(22)21-13(20-9)12(8-19-21)10-5-3-2-4-6-10/h2-6,8,19H,7H2,1H3
InChIKeyOMQKZYCIUQRATH-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.10
Rot. Bonds2

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

5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273454) has the molecular formula C15H12F3N3O and a molecular weight of 307.27 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273454
Molecular FormulaC15H12F3N3O
Molecular Weight307.27 g/mol
Exact Mass307.09
IUPAC Name5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c[nH]n2c(=O)c1CC(F)(F)F
InChIInChI=1S/C15H12F3N3O/c1-9-11(7-15(16,17)18)14(22)21-13(20-9)12(8-19-21)10-5-3-2-4-6-10/h2-6,8,19H,7H2,1H3
InChIKeyOMQKZYCIUQRATH-UHFFFAOYSA-N
XLogP3.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(4-nitrophenyl)-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273557
3-(2-methoxyphenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273539
5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273472
6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273493
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
3-[3-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 82274150
6-[(4-chlorophenyl)methyl]-5-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273473
3-bromo-2,5-dimethyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273344
4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid
CID 175325173
5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10514153
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 138472633

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273454) is 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c[nH]n2c(=O)c1CC(F)(F)F.
What is the InChIKey of 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OMQKZYCIUQRATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-9-11(7-15(16,17)18)14(22)21-13(20-9)12(8-19-21)10-5-3-2-4-6-10/h2-6,8,19H,7H2,1H3.
What are the key properties of 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 307.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).