(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine

C15H21N3OS — CID 124884004

IUPAC(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine
SMILESCCn1nccc1CCN1CCO[C@H](c2ccsc2)C1
InChIInChI=1S/C15H21N3OS/c1-2-18-14(3-6-16-18)4-7-17-8-9-19-15(11-17)13-5-10-20-12-13/h3,5-6,10,12,15H,2,4,7-9,11H2,1H3/t15-/m0/s1
InChIKeyUCYCLFRXKJEMJG-HNNXBMFYSA-N
MW291.42 g/mol
LogP2.58
Rot. Bonds5

About (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine

(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine (PubChem CID 124884004) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine
PubChem CID124884004
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine
SMILESCCn1nccc1CCN1CCO[C@H](c2ccsc2)C1
InChIInChI=1S/C15H21N3OS/c1-2-18-14(3-6-16-18)4-7-17-8-9-19-15(11-17)13-5-10-20-12-13/h3,5-6,10,12,15H,2,4,7-9,11H2,1H3/t15-/m0/s1
InChIKeyUCYCLFRXKJEMJG-HNNXBMFYSA-N
XLogP2.58
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine
CID 124622385
(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 124883718
(2R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-4-methyl-2-phenylpiperazine
CID 124883835
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine
CID 133472437
N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide
CID 71920146
4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 86786686
(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
CID 125142733
(2R)-2-(6-methoxynaphthalen-2-yl)-4-(3-pyrazol-1-ylpropyl)morpholine
CID 95403110
2-thiophen-3-yl-N-(1-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 75379628
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
CID 79822869
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine
CID 133412573

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine?
The IUPAC name of (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine (CID 124884004) is (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine.
What is the SMILES notation for (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine?
The canonical SMILES for (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine is CCn1nccc1CCN1CCO[C@H](c2ccsc2)C1.
What is the InChIKey of (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine?
The InChIKey is UCYCLFRXKJEMJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-18-14(3-6-16-18)4-7-17-8-9-19-15(11-17)13-5-10-20-12-13/h3,5-6,10,12,15H,2,4,7-9,11H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine?
(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine has a molecular weight of 291.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine is sourced from PubChem (CID 124884004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).