4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine

C7H3Cl2F3N4 — CID 86069450

IUPAC4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)Cn1ncc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H3Cl2F3N4/c8-4-3-1-13-16(2-7(10,11)12)5(3)15-6(9)14-4/h1H,2H2
InChIKeyCPNLPXNZTMJLMW-UHFFFAOYSA-N
MW271.03 g/mol
LogP2.70
Rot. Bonds1

About 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine

4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 86069450) has the molecular formula C7H3Cl2F3N4 and a molecular weight of 271.03 g/mol. Its IUPAC name is 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID86069450
Molecular FormulaC7H3Cl2F3N4
Molecular Weight271.03 g/mol
Exact Mass269.97
IUPAC Name4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)Cn1ncc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H3Cl2F3N4/c8-4-3-1-13-16(2-7(10,11)12)5(3)15-6(9)14-4/h1H,2H2
InChIKeyCPNLPXNZTMJLMW-UHFFFAOYSA-N
XLogP2.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.03
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine (CID 86069450) is 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine is FC(F)(F)Cn1ncc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is CPNLPXNZTMJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3N4/c8-4-3-1-13-16(2-7(10,11)12)5(3)15-6(9)14-4/h1H,2H2.
What are the key properties of 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine?
4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 271.03 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 86069450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).