6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine

C9H9F2N3O — CID 171505753

IUPAC6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2cc(OCC(F)F)cnc12
InChIInChI=1S/C9H9F2N3O/c1-6-2-13-14-4-7(3-12-9(6)14)15-5-8(10)11/h2-4,8H,5H2,1H3
InChIKeyZZQVGNKGRKOBQF-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.68
Rot. Bonds3

About 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine

6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 171505753) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID171505753
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2cc(OCC(F)F)cnc12
InChIInChI=1S/C9H9F2N3O/c1-6-2-13-14-4-7(3-12-9(6)14)15-5-8(10)11/h2-4,8H,5H2,1H3
InChIKeyZZQVGNKGRKOBQF-UHFFFAOYSA-N
XLogP1.68
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-6-ethoxy-3-ethylpyrazolo[1,5-a]pyrimidine
CID 44317493
6-ethoxy-3-ethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317743
5,8-Dimethoxy[1,2,4]-triazolo[1,5-c]pyrimidine
CID 137796803
3-Bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
CID 67325432
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
2-[5-(1-Bromoethyl)-1,2,4-triazol-1-yl]-5-(2,2-difluoroethoxy)pyrimidine
CID 166568093
5-Chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 167327370
6-(2,2-Difluoroethoxy)pyrazolo[1,5-a]pyrimidine
CID 171505650
6-(2,2-Difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
CID 171505657
8-Methoxy-3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 357165
8-Methoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 357166

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine (CID 171505753) is 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine is Cc1cnn2cc(OCC(F)F)cnc12.
What is the InChIKey of 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZZQVGNKGRKOBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-6-2-13-14-4-7(3-12-9(6)14)15-5-8(10)11/h2-4,8H,5H2,1H3.
What are the key properties of 6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine?
6-(2,2-difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 213.19 g/mol, XLogP of 1.68, 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)-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171505753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).