(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

C15H18F3N5O — CID 95276282

IUPAC(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cc(C)n(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1
InChIInChI=1S/C15H18F3N5O/c1-10-7-11(2)23(21-10)9-12-8-22(5-6-24-12)14-19-4-3-13(20-14)15(16,17)18/h3-4,7,12H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUGJLYRMQLYTCMX-LBPRGKRZSA-N
MW341.34 g/mol
LogP2.21
Rot. Bonds3

About (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 95276282) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID95276282
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cc(C)n(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1
InChIInChI=1S/C15H18F3N5O/c1-10-7-11(2)23(21-10)9-12-8-22(5-6-24-12)14-19-4-3-13(20-14)15(16,17)18/h3-4,7,12H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUGJLYRMQLYTCMX-LBPRGKRZSA-N
XLogP2.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 95276282) is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is Cc1cc(C)n(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is UGJLYRMQLYTCMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10-7-11(2)23(21-10)9-12-8-22(5-6-24-12)14-19-4-3-13(20-14)15(16,17)18/h3-4,7,12H,5-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 341.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 95276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).