[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone

C20H11ClF3N3O2 — CID 156767588

IUPAC[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C20H11ClF3N3O2/c21-14-4-1-11(2-5-14)16-8-18-25-9-12(10-27(18)26-16)19(29)15-7-13(20(22,23)24)3-6-17(15)28/h1-10,28H
InChIKeyCXNVTSAEQGCBSZ-UHFFFAOYSA-N
MW417.77 g/mol
LogP5.01
Rot. Bonds3

About [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone

[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone (PubChem CID 156767588) has the molecular formula C20H11ClF3N3O2 and a molecular weight of 417.77 g/mol. Its IUPAC name is [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
PubChem CID156767588
Molecular FormulaC20H11ClF3N3O2
Molecular Weight417.77 g/mol
Exact Mass417.05
IUPAC Name[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C20H11ClF3N3O2/c21-14-4-1-11(2-5-14)16-8-18-25-9-12(10-27(18)26-16)19(29)15-7-13(20(22,23)24)3-6-17(15)28/h1-10,28H
InChIKeyCXNVTSAEQGCBSZ-UHFFFAOYSA-N
XLogP5.01
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.77
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone (CID 156767588) is [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone is O=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is CXNVTSAEQGCBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF3N3O2/c21-14-4-1-11(2-5-14)16-8-18-25-9-12(10-27(18)26-16)19(29)15-7-13(20(22,23)24)3-6-17(15)28/h1-10,28H.
What are the key properties of [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone?
[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 417.77 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 156767588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).