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

C14H14F3N5O2 — CID 54305628

IUPAC2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(C(C(N)=O)C2CC2)n1
InChIInChI=1S/C14H14F3N5O2/c1-22-11(4-9(21-22)14(15,16)17)24-10-6-19-5-8(20-10)12(13(18)23)7-2-3-7/h4-7,12H,2-3H2,1H3,(H2,18,23)
InChIKeySHGUULCQTLHFKE-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.00
Rot. Bonds5

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

2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide (PubChem CID 54305628) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
PubChem CID54305628
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(C(C(N)=O)C2CC2)n1
InChIInChI=1S/C14H14F3N5O2/c1-22-11(4-9(21-22)14(15,16)17)24-10-6-19-5-8(20-10)12(13(18)23)7-2-3-7/h4-7,12H,2-3H2,1H3,(H2,18,23)
InChIKeySHGUULCQTLHFKE-UHFFFAOYSA-N
XLogP2.00
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide?
The IUPAC name of 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide (CID 54305628) is 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide is Cn1nc(C(F)(F)F)cc1Oc1cncc(C(C(N)=O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide?
The InChIKey is SHGUULCQTLHFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-22-11(4-9(21-22)14(15,16)17)24-10-6-19-5-8(20-10)12(13(18)23)7-2-3-7/h4-7,12H,2-3H2,1H3,(H2,18,23).
What are the key properties of 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide?
2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide has a molecular weight of 341.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide is sourced from PubChem (CID 54305628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).