1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one

C10H8F3N3O — CID 84801947

IUPAC1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H8F3N3O/c1-6(17)2-7-4-14-9-3-8(10(11,12)13)15-16(9)5-7/h3-5H,2H2,1H3
InChIKeySVVNKKFKEUXIQF-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.88
Rot. Bonds2

About 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one

1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one (PubChem CID 84801947) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one
PubChem CID84801947
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H8F3N3O/c1-6(17)2-7-4-14-9-3-8(10(11,12)13)15-16(9)5-7/h3-5H,2H2,1H3
InChIKeySVVNKKFKEUXIQF-UHFFFAOYSA-N
XLogP1.88
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone
CID 90672684
1-(2-Cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 2819451
2-Tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 12031640
2-Tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 23244369
1-[(2-Cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 69295748
3-Fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 118410777
5-Tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine
CID 122594834
2-Propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 137532974
1-(3-Fluoro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)propan-1-one
CID 138663408
3-Methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 139359839
2-(2,2-Difluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 139608466
2-[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-1-piperidin-1-ylethanone
CID 140064315

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one (CID 84801947) is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one is CC(=O)Cc1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The InChIKey is SVVNKKFKEUXIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-6(17)2-7-4-14-9-3-8(10(11,12)13)15-16(9)5-7/h3-5H,2H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one has a molecular weight of 243.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one is sourced from PubChem (CID 84801947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).