1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile

C12H9F3N4 — CID 84807871

IUPAC1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2cnc3cc(C(F)(F)F)nn3c2)CCC1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)9-4-10-17-5-8(6-19(10)18-9)11(7-16)2-1-3-11/h4-6H,1-3H2
InChIKeyJVCLVIIJDQIBJU-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.69
Rot. Bonds1

About 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile

1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile (PubChem CID 84807871) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
PubChem CID84807871
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2cnc3cc(C(F)(F)F)nn3c2)CCC1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)9-4-10-17-5-8(6-19(10)18-9)11(7-16)2-1-3-11/h4-6H,1-3H2
InChIKeyJVCLVIIJDQIBJU-UHFFFAOYSA-N
XLogP2.69
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile (CID 84807871) is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile is N#CC1(c2cnc3cc(C(F)(F)F)nn3c2)CCC1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile?
The InChIKey is JVCLVIIJDQIBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c13-12(14,15)9-4-10-17-5-8(6-19(10)18-9)11(7-16)2-1-3-11/h4-6H,1-3H2.
What are the key properties of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile?
1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile has a molecular weight of 266.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 84807871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).