(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine

C20H20F3N5O2 — CID 125011961

IUPAC(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
SMILESFC(F)(F)c1ccc(OCCc2cc([C@H]3CN(c4ncccn4)CCO3)n[nH]2)cc1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)14-2-4-16(5-3-14)29-10-6-15-12-17(27-26-15)18-13-28(9-11-30-18)19-24-7-1-8-25-19/h1-5,7-8,12,18H,6,9-11,13H2,(H,26,27)/t18-/m1/s1
InChIKeyVUFCVAOSMCEOPK-GOSISDBHSA-N
MW419.41 g/mol
LogP3.42
Rot. Bonds6

About (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine

(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine (PubChem CID 125011961) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
PubChem CID125011961
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
SMILESFC(F)(F)c1ccc(OCCc2cc([C@H]3CN(c4ncccn4)CCO3)n[nH]2)cc1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)14-2-4-16(5-3-14)29-10-6-15-12-17(27-26-15)18-13-28(9-11-30-18)19-24-7-1-8-25-19/h1-5,7-8,12,18H,6,9-11,13H2,(H,26,27)/t18-/m1/s1
InChIKeyVUFCVAOSMCEOPK-GOSISDBHSA-N
XLogP3.42
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The IUPAC name of (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine (CID 125011961) is (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine is FC(F)(F)c1ccc(OCCc2cc([C@H]3CN(c4ncccn4)CCO3)n[nH]2)cc1.
What is the InChIKey of (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The InChIKey is VUFCVAOSMCEOPK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)14-2-4-16(5-3-14)29-10-6-15-12-17(27-26-15)18-13-28(9-11-30-18)19-24-7-1-8-25-19/h1-5,7-8,12,18H,6,9-11,13H2,(H,26,27)/t18-/m1/s1.
What are the key properties of (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine has a molecular weight of 419.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 125011961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).