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

C19H11ClF3N3O — CID 154339342

IUPAC1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C19H11ClF3N3O/c20-13-6-8-14(9-7-13)25-15(12-4-2-1-3-5-12)10-17-24-16(19(21,22)23)11-18(27)26(17)25/h1-11H
InChIKeyNKGBYUVOIGEZJU-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.82
Rot. Bonds2

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

1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 154339342) has the molecular formula C19H11ClF3N3O and a molecular weight of 389.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID154339342
Molecular FormulaC19H11ClF3N3O
Molecular Weight389.76 g/mol
Exact Mass389.05
IUPAC Name1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C19H11ClF3N3O/c20-13-6-8-14(9-7-13)25-15(12-4-2-1-3-5-12)10-17-24-16(19(21,22)23)11-18(27)26(17)25/h1-11H
InChIKeyNKGBYUVOIGEZJU-UHFFFAOYSA-N
XLogP4.82
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-nitrophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 154270894
7-chloro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401967
2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 59120436
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one
CID 134915399
4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 91926431
1,2,5-triphenylpyrazol-3-one
CID 150178882
[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
CID 54613586
5,6-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazine-3,8-dione
CID 68688400
6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 154316185
2-[3,5-bis(4-chlorophenyl)pyrazol-1-yl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine
CID 19586511
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 154339342) is 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C(F)(F)F)nc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)n12.
What is the InChIKey of 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NKGBYUVOIGEZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3O/c20-13-6-8-14(9-7-13)25-15(12-4-2-1-3-5-12)10-17-24-16(19(21,22)23)11-18(27)26(17)25/h1-11H.
What are the key properties of 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one?
1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 389.76 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 154339342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).