1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone

C10H8F3N3O — CID 90672684

IUPAC1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone
SMILESCc1cc(C)n2ncc(C(=O)C(F)(F)F)c2n1
InChIInChI=1S/C10H8F3N3O/c1-5-3-6(2)16-9(15-5)7(4-14-16)8(17)10(11,12)13/h3-4H,1-2H3
InChIKeyNSLUKBKYVMGXJA-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.09
Rot. Bonds1

About 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone

1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone (PubChem CID 90672684) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone
PubChem CID90672684
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone
SMILESCc1cc(C)n2ncc(C(=O)C(F)(F)F)c2n1
InChIInChI=1S/C10H8F3N3O/c1-5-3-6(2)16-9(15-5)7(4-14-16)8(17)10(11,12)13/h3-4H,1-2H3
InChIKeyNSLUKBKYVMGXJA-UHFFFAOYSA-N
XLogP2.09
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone (CID 90672684) is 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone is Cc1cc(C)n2ncc(C(=O)C(F)(F)F)c2n1.
What is the InChIKey of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is NSLUKBKYVMGXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-5-3-6(2)16-9(15-5)7(4-14-16)8(17)10(11,12)13/h3-4H,1-2H3.
What are the key properties of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone?
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 243.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 90672684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).