3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H12F3N3O2 — CID 2810240

IUPAC3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C(F)(F)F)[nH]n3c(=O)cc(C)nc23)cc1
InChIInChI=1S/C15H12F3N3O2/c1-8-7-11(22)21-14(19-8)12(13(20-21)15(16,17)18)9-3-5-10(23-2)6-4-9/h3-7,20H,1-2H3
InChIKeyGXBFFEPXMVONHT-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.03
Rot. Bonds2

About 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2810240) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2810240
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C(F)(F)F)[nH]n3c(=O)cc(C)nc23)cc1
InChIInChI=1S/C15H12F3N3O2/c1-8-7-11(22)21-14(19-8)12(13(20-21)15(16,17)18)9-3-5-10(23-2)6-4-9/h3-7,20H,1-2H3
InChIKeyGXBFFEPXMVONHT-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1091466
3-(3,4-dimethoxyphenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 87222233
3-(4-methoxyphenyl)-2-methyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 16674607
5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973436
3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168369
5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56854687
N-(3,5-dimethoxyphenyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557456
N-(4-methoxyphenyl)-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 138557372
5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973794
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
[7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl 2,2,2-trifluoroacetate
CID 90307455
6-(3-chlorophenyl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138573089

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2810240) is 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C(F)(F)F)[nH]n3c(=O)cc(C)nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GXBFFEPXMVONHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c1-8-7-11(22)21-14(19-8)12(13(20-21)15(16,17)18)9-3-5-10(23-2)6-4-9/h3-7,20H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 323.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2810240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).