2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine

C9H12F3N3O — CID 64535067

IUPAC2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine
SMILESFC(F)(F)c1cnn(CC2CNCCO2)c1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-3-14-15(5-7)6-8-4-13-1-2-16-8/h3,5,8,13H,1-2,4,6H2
InChIKeySCYVQEJYHRECCO-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.89
Rot. Bonds2

About 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine

2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine (PubChem CID 64535067) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine
PubChem CID64535067
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine
SMILESFC(F)(F)c1cnn(CC2CNCCO2)c1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-3-14-15(5-7)6-8-4-13-1-2-16-8/h3,5,8,13H,1-2,4,6H2
InChIKeySCYVQEJYHRECCO-UHFFFAOYSA-N
XLogP0.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine?
The IUPAC name of 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine (CID 64535067) is 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine?
The canonical SMILES for 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine is FC(F)(F)c1cnn(CC2CNCCO2)c1.
What is the InChIKey of 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine?
The InChIKey is SCYVQEJYHRECCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7-3-14-15(5-7)6-8-4-13-1-2-16-8/h3,5,8,13H,1-2,4,6H2.
What are the key properties of 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine?
2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine has a molecular weight of 235.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine is sourced from PubChem (CID 64535067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).