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

C7H4F3N3 — CID 67345746

IUPAC2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncccn2n1
InChIInChI=1S/C7H4F3N3/c8-7(9,10)5-4-6-11-2-1-3-13(6)12-5/h1-4H
InChIKeyAULCHMVOKWUGAI-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.75
Rot. Bonds

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

2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 67345746) has the molecular formula C7H4F3N3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID67345746
Molecular FormulaC7H4F3N3
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncccn2n1
InChIInChI=1S/C7H4F3N3/c8-7(9,10)5-4-6-11-2-1-3-13(6)12-5/h1-4H
InChIKeyAULCHMVOKWUGAI-UHFFFAOYSA-N
XLogP1.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5531
CID 5531
CID 215186
CID 215186
CID 206164
CID 206164
CID 11636795
CID 11636795
CID 12581392
CID 12581392
CID 584230
CID 584230
CID 1480446
CID 1480446
CID 18684975
CID 18684975
CID 20324958
CID 20324958
CID 12581393
CID 12581393
CID 12366048
CID 12366048
CID 13115788
CID 13115788

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 67345746) is 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc2ncccn2n1.
What is the InChIKey of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AULCHMVOKWUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3/c8-7(9,10)5-4-6-11-2-1-3-13(6)12-5/h1-4H.
What are the key properties of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 187.12 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 67345746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).