(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C18H20F3N3O2 — CID 42358800

IUPAC(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)nn1C
InChIInChI=1S/C18H20F3N3O2/c1-12-8-16(22-23(12)2)17(25)24-6-7-26-15(11-24)10-13-4-3-5-14(9-13)18(19,20)21/h3-5,8-9,15H,6-7,10-11H2,1-2H3/t15-/m0/s1
InChIKeyNZQAXGPRAZPRQH-HNNXBMFYSA-N
MW367.37 g/mol
LogP2.83
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 42358800) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID42358800
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)nn1C
InChIInChI=1S/C18H20F3N3O2/c1-12-8-16(22-23(12)2)17(25)24-6-7-26-15(11-24)10-13-4-3-5-14(9-13)18(19,20)21/h3-5,8-9,15H,6-7,10-11H2,1-2H3/t15-/m0/s1
InChIKeyNZQAXGPRAZPRQH-HNNXBMFYSA-N
XLogP2.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 42358800) is (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is NZQAXGPRAZPRQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-12-8-16(22-23(12)2)17(25)24-6-7-26-15(11-24)10-13-4-3-5-14(9-13)18(19,20)21/h3-5,8-9,15H,6-7,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 367.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 42358800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).