morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone

C10H12F3N3O3 — CID 155958724

IUPACmorpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1OCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-19-8-7(5-14-15-8)9(17)16-1-3-18-4-2-16/h5H,1-4,6H2,(H,14,15)
InChIKeyXZOOMVLGXPANAN-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.82
Rot. Bonds3

About morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone

morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone (PubChem CID 155958724) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone
PubChem CID155958724
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Namemorpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1OCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-19-8-7(5-14-15-8)9(17)16-1-3-18-4-2-16/h5H,1-4,6H2,(H,14,15)
InChIKeyXZOOMVLGXPANAN-UHFFFAOYSA-N
XLogP0.82
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone (CID 155958724) is morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1OCC(F)(F)F)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone?
The InChIKey is XZOOMVLGXPANAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)6-19-8-7(5-14-15-8)9(17)16-1-3-18-4-2-16/h5H,1-4,6H2,(H,14,15).
What are the key properties of morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone?
morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone has a molecular weight of 279.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 155958724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).