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

C20H14F3N3O2 — CID 51357086

IUPAC5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]c(C(F)(F)F)c(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H14F3N3O2/c1-28-14-9-7-12(8-10-14)15-11-16(27)26-19(24-15)17(13-5-3-2-4-6-13)18(25-26)20(21,22)23/h2-11,25H,1H3
InChIKeyKKHLLTUMLZEBMM-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.38
Rot. Bonds3

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

5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 51357086) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID51357086
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]c(C(F)(F)F)c(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H14F3N3O2/c1-28-14-9-7-12(8-10-14)15-11-16(27)26-19(24-15)17(13-5-3-2-4-6-13)18(25-26)20(21,22)23/h2-11,25H,1H3
InChIKeyKKHLLTUMLZEBMM-UHFFFAOYSA-N
XLogP4.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
2-(3-Methoxyphenyl)-5-phenylpyrazolo[1,5-A]pyrimidin-7-OL
CID 2818874
4-Hydroxy-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 135501757
2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879313
7-oxo-6-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454642
2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
2-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
CID 807711
Ethyl [7-hydroxy-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 1084421
6-chloro-2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1370213
2-(4-Methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1851458
5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3156107

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 51357086) is 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2cc(=O)n3[nH]c(C(F)(F)F)c(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KKHLLTUMLZEBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c1-28-14-9-7-12(8-10-14)15-11-16(27)26-19(24-15)17(13-5-3-2-4-6-13)18(25-26)20(21,22)23/h2-11,25H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 385.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 51357086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).