5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine

C13H7Cl2F2N3 — CID 4767452

IUPAC5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn12
InChIInChI=1S/C13H7Cl2F2N3/c14-8-2-1-7(5-9(8)15)10-6-11(13(16)17)20-12(19-10)3-4-18-20/h1-6,13H
InChIKeyXQEAREFDADRFLY-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.64
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 4767452) has the molecular formula C13H7Cl2F2N3 and a molecular weight of 314.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID4767452
Molecular FormulaC13H7Cl2F2N3
Molecular Weight314.12 g/mol
Exact Mass313.00
IUPAC Name5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn12
InChIInChI=1S/C13H7Cl2F2N3/c14-8-2-1-7(5-9(8)15)10-6-11(13(16)17)20-12(19-10)3-4-18-20/h1-6,13H
InChIKeyXQEAREFDADRFLY-UHFFFAOYSA-N
XLogP4.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 4767452) is 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn12.
What is the InChIKey of 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XQEAREFDADRFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2N3/c14-8-2-1-7(5-9(8)15)10-6-11(13(16)17)20-12(19-10)3-4-18-20/h1-6,13H.
What are the key properties of 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 314.12 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4767452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).