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

C19H10Cl2F3N3O — CID 130192955

IUPAC6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(Cl)c(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C19H10Cl2F3N3O/c20-12-8-6-10(7-9-12)13-16(19(22,23)24)26-27-17(13)25-15(14(21)18(27)28)11-4-2-1-3-5-11/h1-9,26H
InChIKeyCLNGIWTWIUJELK-UHFFFAOYSA-N
MW424.21 g/mol
LogP5.68
Rot. Bonds2

About 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 130192955) has the molecular formula C19H10Cl2F3N3O and a molecular weight of 424.21 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID130192955
Molecular FormulaC19H10Cl2F3N3O
Molecular Weight424.21 g/mol
Exact Mass423.02
IUPAC Name6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(Cl)c(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C19H10Cl2F3N3O/c20-12-8-6-10(7-9-12)13-16(19(22,23)24)26-27-17(13)25-15(14(21)18(27)28)11-4-2-1-3-5-11/h1-9,26H
InChIKeyCLNGIWTWIUJELK-UHFFFAOYSA-N
XLogP5.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.21
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 130192955) is 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(Cl)c(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12.
What is the InChIKey of 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CLNGIWTWIUJELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F3N3O/c20-12-8-6-10(7-9-12)13-16(19(22,23)24)26-27-17(13)25-15(14(21)18(27)28)11-4-2-1-3-5-11/h1-9,26H.
What are the key properties of 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 424.21 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130192955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).