4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

C14H16F3N5O — CID 44821887

IUPAC4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C14H16F3N5O/c1-2-22-9-10(8-18-22)11-7-12(14(15,16)17)20-13(19-11)21-3-5-23-6-4-21/h7-9H,2-6H2,1H3
InChIKeyKFYXXEHBDLHNFC-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.22
Rot. Bonds3

About 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 44821887) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID44821887
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C14H16F3N5O/c1-2-22-9-10(8-18-22)11-7-12(14(15,16)17)20-13(19-11)21-3-5-23-6-4-21/h7-9H,2-6H2,1H3
InChIKeyKFYXXEHBDLHNFC-UHFFFAOYSA-N
XLogP2.22
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 44821887) is 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is CCn1cc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is KFYXXEHBDLHNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-2-22-9-10(8-18-22)11-7-12(14(15,16)17)20-13(19-11)21-3-5-23-6-4-21/h7-9H,2-6H2,1H3.
What are the key properties of 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 327.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 44821887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).