2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine

C9H8F3N3 — CID 139608470

IUPAC2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)CCc1cc2ncccn2n1
InChIInChI=1S/C9H8F3N3/c10-9(11,12)3-2-7-6-8-13-4-1-5-15(8)14-7/h1,4-6H,2-3H2
InChIKeyFWQYOGIKZNYDQF-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.22
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine

2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 139608470) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
PubChem CID139608470
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)CCc1cc2ncccn2n1
InChIInChI=1S/C9H8F3N3/c10-9(11,12)3-2-7-6-8-13-4-1-5-15(8)14-7/h1,4-6H,2-3H2
InChIKeyFWQYOGIKZNYDQF-UHFFFAOYSA-N
XLogP2.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
3-Bromo-5,7-dimethylpyrazolo(1,5-a)pyrimidine
CID 198235
Pyrazolo(1,5-a)pyrimidine, 3-chloro-5,7-dimethyl-
CID 206163
Pyrazolo(1.5-a)pyrimidine, 5,7-dimethyl-3-iodo-
CID 206164
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958
3-Bromo-7-ethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 20324960
3-Bromo-5-methyl-7-propylpyrazolo[1,5-a]pyrimidine
CID 20324962

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine (CID 139608470) is 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)CCc1cc2ncccn2n1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FWQYOGIKZNYDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-9(11,12)3-2-7-6-8-13-4-1-5-15(8)14-7/h1,4-6H,2-3H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine?
2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 215.18 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139608470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).