6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine

C8H7F2N3O — CID 171505650

IUPAC6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)COc1cnc2ccnn2c1
InChIInChI=1S/C8H7F2N3O/c9-7(10)5-14-6-3-11-8-1-2-12-13(8)4-6/h1-4,7H,5H2
InChIKeyWHRCJVKBAQFPSY-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.37
Rot. Bonds3

About 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine

6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 171505650) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID171505650
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)COc1cnc2ccnn2c1
InChIInChI=1S/C8H7F2N3O/c9-7(10)5-14-6-3-11-8-1-2-12-13(8)4-6/h1-4,7H,5H2
InChIKeyWHRCJVKBAQFPSY-UHFFFAOYSA-N
XLogP1.37
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo(1,5-a)pyrimidin-6-ol
CID 58139958
2,2,2-Trifluoroethyl 2-[[4-(4-methoxypyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetate
CID 23545972
3-Bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
CID 67325432
5-Bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
CID 124027650
N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine
CID 142164721
5-Bromo-8-[(2,2-difluorocyclopropyl)methoxy]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 156340701
5-Bromo-8-(3,3-difluorocyclobutyl)oxy-[1,2,4]triazolo[4,3-c]pyrimidine
CID 156341004
6-(2,2-Difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
CID 171505657
2-(2,2-Difluoroethoxy)pyrazolo[1,5-a]pyrimidine
CID 176019768
8-Methoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 357166
N-[2-(2,2-difluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 105913209
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296719

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine (CID 171505650) is 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine is FC(F)COc1cnc2ccnn2c1.
What is the InChIKey of 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WHRCJVKBAQFPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-7(10)5-14-6-3-11-8-1-2-12-13(8)4-6/h1-4,7H,5H2.
What are the key properties of 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine?
6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 199.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171505650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).