4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C15H16ClF3N4O — CID 133365007

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cn1
InChIInChI=1S/C15H16ClF3N4O/c1-14(11-7-21-22(2)8-11)9-23(3-4-24-14)13-12(16)5-10(6-20-13)15(17,18)19/h5-8H,3-4,9H2,1-2H3
InChIKeyYAUXCQYKRGIDBM-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.24
Rot. Bonds2

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 133365007) has the molecular formula C15H16ClF3N4O and a molecular weight of 360.77 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID133365007
Molecular FormulaC15H16ClF3N4O
Molecular Weight360.77 g/mol
Exact Mass360.10
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cn1
InChIInChI=1S/C15H16ClF3N4O/c1-14(11-7-21-22(2)8-11)9-23(3-4-24-14)13-12(16)5-10(6-20-13)15(17,18)19/h5-8H,3-4,9H2,1-2H3
InChIKeyYAUXCQYKRGIDBM-UHFFFAOYSA-N
XLogP3.24
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 133365007) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2(C)CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cn1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is YAUXCQYKRGIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O/c1-14(11-7-21-22(2)8-11)9-23(3-4-24-14)13-12(16)5-10(6-20-13)15(17,18)19/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 360.77 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 133365007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).