N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide

C13H13F3N6O3 — CID 23202612

IUPACN-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(CC(=O)NCC(N)=O)n1
InChIInChI=1S/C13H13F3N6O3/c1-22-12(3-8(21-22)13(14,15)16)25-11-6-18-4-7(20-11)2-10(24)19-5-9(17)23/h3-4,6H,2,5H2,1H3,(H2,17,23)(H,19,24)
InChIKeyYPFJJFNCXFHFSR-UHFFFAOYSA-N
MW358.28 g/mol
LogP0.17
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide

N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide (PubChem CID 23202612) has the molecular formula C13H13F3N6O3 and a molecular weight of 358.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
PubChem CID23202612
Molecular FormulaC13H13F3N6O3
Molecular Weight358.28 g/mol
Exact Mass358.10
IUPAC NameN-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(CC(=O)NCC(N)=O)n1
InChIInChI=1S/C13H13F3N6O3/c1-22-12(3-8(21-22)13(14,15)16)25-11-6-18-4-7(20-11)2-10(24)19-5-9(17)23/h3-4,6H,2,5H2,1H3,(H2,17,23)(H,19,24)
InChIKeyYPFJJFNCXFHFSR-UHFFFAOYSA-N
XLogP0.17
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide (CID 23202612) is N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide is Cn1nc(C(F)(F)F)cc1Oc1cncc(CC(=O)NCC(N)=O)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide?
The InChIKey is YPFJJFNCXFHFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6O3/c1-22-12(3-8(21-22)13(14,15)16)25-11-6-18-4-7(20-11)2-10(24)19-5-9(17)23/h3-4,6H,2,5H2,1H3,(H2,17,23)(H,19,24).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide?
N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide has a molecular weight of 358.28 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide is sourced from PubChem (CID 23202612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).