(2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

C20H21N3O2S — CID 2999214

IUPAC(2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC(C)O1
InChIInChI=1S/C20H21N3O2S/c1-14-11-22(12-15(2)25-14)20(24)17-13-23(16-7-4-3-5-8-16)21-19(17)18-9-6-10-26-18/h3-10,13-15H,11-12H2,1-2H3
InChIKeyXZSUSZAEGIFZTF-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.85
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (PubChem CID 2999214) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
PubChem CID2999214
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC(C)O1
InChIInChI=1S/C20H21N3O2S/c1-14-11-22(12-15(2)25-14)20(24)17-13-23(16-7-4-3-5-8-16)21-19(17)18-9-6-10-26-18/h3-10,13-15H,11-12H2,1-2H3
InChIKeyXZSUSZAEGIFZTF-UHFFFAOYSA-N
XLogP3.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (CID 2999214) is (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is CC1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The InChIKey is XZSUSZAEGIFZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-11-22(12-15(2)25-14)20(24)17-13-23(16-7-4-3-5-8-16)21-19(17)18-9-6-10-26-18/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone has a molecular weight of 367.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 2999214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).