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

C14H7F3N4 — CID 689154

IUPAC5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H7F3N4/c15-14(16,17)12-6-11(9-4-2-1-3-5-9)20-13-10(7-18)8-19-21(12)13/h1-6,8H
InChIKeyMJGNWUULORTGBF-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.29
Rot. Bonds1

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

5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 689154) has the molecular formula C14H7F3N4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID689154
Molecular FormulaC14H7F3N4
Molecular Weight288.23 g/mol
Exact Mass288.06
IUPAC Name5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H7F3N4/c15-14(16,17)12-6-11(9-4-2-1-3-5-9)20-13-10(7-18)8-19-21(12)13/h1-6,8H
InChIKeyMJGNWUULORTGBF-UHFFFAOYSA-N
XLogP3.29
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 689154) is 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is MJGNWUULORTGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4/c15-14(16,17)12-6-11(9-4-2-1-3-5-9)20-13-10(7-18)8-19-21(12)13/h1-6,8H.
What are the key properties of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 288.23 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 689154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).