N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide

C10H9F3N4O2 — CID 178179227

IUPACN-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1c(NC(=O)C(F)(F)F)nn2ccc(=O)[nH]c12
InChIInChI=1S/C10H9F3N4O2/c1-2-5-7(15-9(19)10(11,12)13)16-17-4-3-6(18)14-8(5)17/h3-4H,2H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyYPXUAYJIMSYPER-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.09
Rot. Bonds2

About N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide

N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 178179227) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
PubChem CID178179227
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC NameN-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1c(NC(=O)C(F)(F)F)nn2ccc(=O)[nH]c12
InChIInChI=1S/C10H9F3N4O2/c1-2-5-7(15-9(19)10(11,12)13)16-17-4-3-6(18)14-8(5)17/h3-4H,2H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyYPXUAYJIMSYPER-UHFFFAOYSA-N
XLogP1.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide (CID 178179227) is N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide is CCc1c(NC(=O)C(F)(F)F)nn2ccc(=O)[nH]c12.
What is the InChIKey of N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is YPXUAYJIMSYPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-2-5-7(15-9(19)10(11,12)13)16-17-4-3-6(18)14-8(5)17/h3-4H,2H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide?
N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 274.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 178179227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).