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

C18H10BrF3N4 — CID 11304674

IUPAC5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccncc3)cnn12
InChIInChI=1S/C18H10BrF3N4/c19-13-3-1-12(2-4-13)15-9-16(18(20,21)22)26-17(25-15)14(10-24-26)11-5-7-23-8-6-11/h1-10H
InChIKeyCWDHNCJBBHIGER-UHFFFAOYSA-N
MW419.20 g/mol
LogP5.24
Rot. Bonds2

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

5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 11304674) has the molecular formula C18H10BrF3N4 and a molecular weight of 419.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID11304674
Molecular FormulaC18H10BrF3N4
Molecular Weight419.20 g/mol
Exact Mass418.00
IUPAC Name5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccncc3)cnn12
InChIInChI=1S/C18H10BrF3N4/c19-13-3-1-12(2-4-13)15-9-16(18(20,21)22)26-17(25-15)14(10-24-26)11-5-7-23-8-6-11/h1-10H
InChIKeyCWDHNCJBBHIGER-UHFFFAOYSA-N
XLogP5.24
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.20
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 11304674) is 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccncc3)cnn12.
What is the InChIKey of 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CWDHNCJBBHIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF3N4/c19-13-3-1-12(2-4-13)15-9-16(18(20,21)22)26-17(25-15)14(10-24-26)11-5-7-23-8-6-11/h1-10H.
What are the key properties of 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 419.20 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11304674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).