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

C10H9F3N4O — CID 84805968

IUPAC2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
SMILESCC(N)C(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H9F3N4O/c1-5(14)9(18)6-3-15-8-2-7(10(11,12)13)16-17(8)4-6/h2-5H,14H2,1H3
InChIKeySYNHYROFAWWHMU-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.28
Rot. Bonds2

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

2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one (PubChem CID 84805968) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
PubChem CID84805968
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
SMILESCC(N)C(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H9F3N4O/c1-5(14)9(18)6-3-15-8-2-7(10(11,12)13)16-17(8)4-6/h2-5H,14H2,1H3
InChIKeySYNHYROFAWWHMU-UHFFFAOYSA-N
XLogP1.28
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one (CID 84805968) is 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one is CC(N)C(=O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The InChIKey is SYNHYROFAWWHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-5(14)9(18)6-3-15-8-2-7(10(11,12)13)16-17(8)4-6/h2-5H,14H2,1H3.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one has a molecular weight of 258.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 84805968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).