5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine

C8H4Cl2F3N3 — CID 82274682

IUPAC5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)Cc1c(Cl)nc2ccnn2c1Cl
InChIInChI=1S/C8H4Cl2F3N3/c9-6-4(3-8(11,12)13)7(10)16-5(15-6)1-2-14-16/h1-2H,3H2
InChIKeyAUBHYBTVCFCUQD-UHFFFAOYSA-N
MW270.04 g/mol
LogP3.14
Rot. Bonds1

About 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82274682) has the molecular formula C8H4Cl2F3N3 and a molecular weight of 270.04 g/mol. Its IUPAC name is 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82274682
Molecular FormulaC8H4Cl2F3N3
Molecular Weight270.04 g/mol
Exact Mass268.97
IUPAC Name5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)Cc1c(Cl)nc2ccnn2c1Cl
InChIInChI=1S/C8H4Cl2F3N3/c9-6-4(3-8(11,12)13)7(10)16-5(15-6)1-2-14-16/h1-2H,3H2
InChIKeyAUBHYBTVCFCUQD-UHFFFAOYSA-N
XLogP3.14
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.04
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine (CID 82274682) is 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)Cc1c(Cl)nc2ccnn2c1Cl.
What is the InChIKey of 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AUBHYBTVCFCUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F3N3/c9-6-4(3-8(11,12)13)7(10)16-5(15-6)1-2-14-16/h1-2H,3H2.
What are the key properties of 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 270.04 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).