(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone

C22H25N3O2S — CID 42761915

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
SMILESCc1ccc(C)c(-n2nc(-c3cccs3)cc2C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C22H25N3O2S/c1-14-7-8-15(2)19(10-14)25-20(11-18(23-25)21-6-5-9-28-21)22(26)24-12-16(3)27-17(4)13-24/h5-11,16-17H,12-13H2,1-4H3
InChIKeyOSVNLUPCNNHGRE-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.47
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone (PubChem CID 42761915) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
PubChem CID42761915
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
SMILESCc1ccc(C)c(-n2nc(-c3cccs3)cc2C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C22H25N3O2S/c1-14-7-8-15(2)19(10-14)25-20(11-18(23-25)21-6-5-9-28-21)22(26)24-12-16(3)27-17(4)13-24/h5-11,16-17H,12-13H2,1-4H3
InChIKeyOSVNLUPCNNHGRE-UHFFFAOYSA-N
XLogP4.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494838
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494836
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 7265359
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]methanone
CID 7283089
(2-methylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 17491687
N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812752
[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3957746
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 2414759
3-[1-[1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42762080
N-tert-butyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762073
ethyl 1-[1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42761799
4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 16676603

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone (CID 42761915) is (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone is Cc1ccc(C)c(-n2nc(-c3cccs3)cc2C(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The InChIKey is OSVNLUPCNNHGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-14-7-8-15(2)19(10-14)25-20(11-18(23-25)21-6-5-9-28-21)22(26)24-12-16(3)27-17(4)13-24/h5-11,16-17H,12-13H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone has a molecular weight of 395.53 g/mol, XLogP of 4.47, 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-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone is sourced from PubChem (CID 42761915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).