5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H11BrF3N3 — CID 2717929

IUPAC5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H11BrF3N3/c20-14-8-6-13(7-9-14)16-10-17(19(21,22)23)26-18(25-16)15(11-24-26)12-4-2-1-3-5-12/h1-11H
InChIKeyRJWGMAUOCWRHTP-UHFFFAOYSA-N
MW418.22 g/mol
LogP5.84
Rot. Bonds2

About 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2717929) has the molecular formula C19H11BrF3N3 and a molecular weight of 418.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2717929
Molecular FormulaC19H11BrF3N3
Molecular Weight418.22 g/mol
Exact Mass417.01
IUPAC Name5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H11BrF3N3/c20-14-8-6-13(7-9-14)16-10-17(19(21,22)23)26-18(25-16)15(11-24-26)12-4-2-1-3-5-12/h1-11H
InChIKeyRJWGMAUOCWRHTP-UHFFFAOYSA-N
XLogP5.84
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.22
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2717929) is 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RJWGMAUOCWRHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrF3N3/c20-14-8-6-13(7-9-14)16-10-17(19(21,22)23)26-18(25-16)15(11-24-26)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 418.22 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2717929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).