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

C8H3F3N4 — CID 69058450

IUPAC2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn2cccnc12
InChIInChI=1S/C8H3F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h1-3H
InChIKeyCAPDIGASIUWUIG-UHFFFAOYSA-N
MW212.13 g/mol
LogP1.62
Rot. Bonds

About 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 69058450) has the molecular formula C8H3F3N4 and a molecular weight of 212.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID69058450
Molecular FormulaC8H3F3N4
Molecular Weight212.13 g/mol
Exact Mass212.03
IUPAC Name2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn2cccnc12
InChIInChI=1S/C8H3F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h1-3H
InChIKeyCAPDIGASIUWUIG-UHFFFAOYSA-N
XLogP1.62
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.13
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 69058450) is 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(C(F)(F)F)nn2cccnc12.
What is the InChIKey of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is CAPDIGASIUWUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h1-3H.
What are the key properties of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 212.13 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 69058450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).