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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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133365112
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
4'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413339
4-chloro-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]benzonitrile
CID 133365018
2-methyl-2-(1-methylpyrazol-4-yl)-4-(6-methyl-2-pyridinyl)morpholine
CID 75509895
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365171
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133364964
4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine
CID 133379497
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779306
5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593034
2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine
CID 133365257

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).