N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide

C15H18F3N5O2 — CID 67675695

IUPACN-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide
SMILESCCNC(=O)CCCc1cncc(Oc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C15H18F3N5O2/c1-3-20-12(24)6-4-5-10-8-19-9-13(21-10)25-14-7-11(15(16,17)18)22-23(14)2/h7-9H,3-6H2,1-2H3,(H,20,24)
InChIKeyUAFXSAMTVWGBQK-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.48
Rot. Bonds7

About N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide

N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide (PubChem CID 67675695) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide.

Molecular Properties

Compound NameN-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide
PubChem CID67675695
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC NameN-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide
SMILESCCNC(=O)CCCc1cncc(Oc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C15H18F3N5O2/c1-3-20-12(24)6-4-5-10-8-19-9-13(21-10)25-14-7-11(15(16,17)18)22-23(14)2/h7-9H,3-6H2,1-2H3,(H,20,24)
InChIKeyUAFXSAMTVWGBQK-UHFFFAOYSA-N
XLogP2.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide?
The IUPAC name of N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide (CID 67675695) is N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide.
What is the SMILES notation for N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide?
The canonical SMILES for N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide is CCNC(=O)CCCc1cncc(Oc2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide?
The InChIKey is UAFXSAMTVWGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-3-20-12(24)6-4-5-10-8-19-9-13(21-10)25-14-7-11(15(16,17)18)22-23(14)2/h7-9H,3-6H2,1-2H3,(H,20,24).
What are the key properties of N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide?
N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide has a molecular weight of 357.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide is sourced from PubChem (CID 67675695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).