6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine

C12H8FN3 — CID 59277764

IUPAC6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2cnc3ccnn3c2)cc1
InChIInChI=1S/C12H8FN3/c13-11-3-1-9(2-4-11)10-7-14-12-5-6-15-16(12)8-10/h1-8H
InChIKeyQATNPTKCVXWGFB-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.54
Rot. Bonds1

About 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine

6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 59277764) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID59277764
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2cnc3ccnn3c2)cc1
InChIInChI=1S/C12H8FN3/c13-11-3-1-9(2-4-11)10-7-14-12-5-6-15-16(12)8-10/h1-8H
InChIKeyQATNPTKCVXWGFB-UHFFFAOYSA-N
XLogP2.54
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine (CID 59277764) is 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine is Fc1ccc(-c2cnc3ccnn3c2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QATNPTKCVXWGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-11-3-1-9(2-4-11)10-7-14-12-5-6-15-16(12)8-10/h1-8H.
What are the key properties of 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine?
6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 213.22 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59277764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).