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

C14H6BrF3N4 — CID 4766762

IUPAC5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C14H6BrF3N4/c15-10-3-1-8(2-4-10)11-5-12(14(16,17)18)22-13(21-11)9(6-19)7-20-22/h1-5,7H
InChIKeyKNOIBRMTKNZEHB-UHFFFAOYSA-N
MW367.13 g/mol
LogP4.05
Rot. Bonds1

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

5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4766762) has the molecular formula C14H6BrF3N4 and a molecular weight of 367.13 g/mol. Its IUPAC name is 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4766762
Molecular FormulaC14H6BrF3N4
Molecular Weight367.13 g/mol
Exact Mass365.97
IUPAC Name5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C14H6BrF3N4/c15-10-3-1-8(2-4-10)11-5-12(14(16,17)18)22-13(21-11)9(6-19)7-20-22/h1-5,7H
InChIKeyKNOIBRMTKNZEHB-UHFFFAOYSA-N
XLogP4.05
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.13
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4766762) is 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is KNOIBRMTKNZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF3N4/c15-10-3-1-8(2-4-10)11-5-12(14(16,17)18)22-13(21-11)9(6-19)7-20-22/h1-5,7H.
What are the key properties of 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 367.13 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4766762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).