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

C7H3ClF3N3 — CID 84687193

IUPAC5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2nc(Cl)ccn2n1
InChIInChI=1S/C7H3ClF3N3/c8-5-1-2-14-6(12-5)3-4(13-14)7(9,10)11/h1-3H
InChIKeyIQPQWWAITOWUCW-UHFFFAOYSA-N
MW221.57 g/mol
LogP2.40
Rot. Bonds

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

5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 84687193) has the molecular formula C7H3ClF3N3 and a molecular weight of 221.57 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID84687193
Molecular FormulaC7H3ClF3N3
Molecular Weight221.57 g/mol
Exact Mass221.00
IUPAC Name5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2nc(Cl)ccn2n1
InChIInChI=1S/C7H3ClF3N3/c8-5-1-2-14-6(12-5)3-4(13-14)7(9,10)11/h1-3H
InChIKeyIQPQWWAITOWUCW-UHFFFAOYSA-N
XLogP2.40
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 84687193) is 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc2nc(Cl)ccn2n1.
What is the InChIKey of 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IQPQWWAITOWUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3/c8-5-1-2-14-6(12-5)3-4(13-14)7(9,10)11/h1-3H.
What are the key properties of 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 221.57 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84687193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).