(2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C17H18F3N3O2 — CID 45234592

IUPAC(2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCn1nccc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H18F3N3O2/c1-22-15(5-6-21-22)16(24)23-7-8-25-14(11-23)10-12-3-2-4-13(9-12)17(18,19)20/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyGISYKWTXIAJLQL-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.52
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

(2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 45234592) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID45234592
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name(2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCn1nccc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H18F3N3O2/c1-22-15(5-6-21-22)16(24)23-7-8-25-14(11-23)10-12-3-2-4-13(9-12)17(18,19)20/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyGISYKWTXIAJLQL-UHFFFAOYSA-N
XLogP2.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 45234592) is (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is Cn1nccc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is GISYKWTXIAJLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-22-15(5-6-21-22)16(24)23-7-8-25-14(11-23)10-12-3-2-4-13(9-12)17(18,19)20/h2-6,9,14H,7-8,10-11H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 353.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 45234592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).