5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine

C10H8Cl2F3N3 — CID 82274589

IUPAC5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)c(CC(F)(F)F)c(Cl)nc12
InChIInChI=1S/C10H8Cl2F3N3/c1-2-5-4-16-18-8(12)6(3-10(13,14)15)7(11)17-9(5)18/h4H,2-3H2,1H3
InChIKeyBMYNRVJCEXICBN-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.70
Rot. Bonds2

About 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82274589) has the molecular formula C10H8Cl2F3N3 and a molecular weight of 298.10 g/mol. Its IUPAC name is 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82274589
Molecular FormulaC10H8Cl2F3N3
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)c(CC(F)(F)F)c(Cl)nc12
InChIInChI=1S/C10H8Cl2F3N3/c1-2-5-4-16-18-8(12)6(3-10(13,14)15)7(11)17-9(5)18/h4H,2-3H2,1H3
InChIKeyBMYNRVJCEXICBN-UHFFFAOYSA-N
XLogP3.70
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine (CID 82274589) is 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine is CCc1cnn2c(Cl)c(CC(F)(F)F)c(Cl)nc12.
What is the InChIKey of 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BMYNRVJCEXICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3N3/c1-2-5-4-16-18-8(12)6(3-10(13,14)15)7(11)17-9(5)18/h4H,2-3H2,1H3.
What are the key properties of 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 298.10 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).