(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

C13H16BrN3OS — CID 95289806

IUPAC(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESBrc1cc(CN2CCO[C@@H](Cn3cccn3)C2)cs1
InChIInChI=1S/C13H16BrN3OS/c14-13-6-11(10-19-13)7-16-4-5-18-12(8-16)9-17-3-1-2-15-17/h1-3,6,10,12H,4-5,7-9H2/t12-/m1/s1
InChIKeyQDEJBMMWZRWHIL-GFCCVEGCSA-N
MW342.26 g/mol
LogP2.61
Rot. Bonds4

About (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95289806) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95289806
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC Name(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESBrc1cc(CN2CCO[C@@H](Cn3cccn3)C2)cs1
InChIInChI=1S/C13H16BrN3OS/c14-13-6-11(10-19-13)7-16-4-5-18-12(8-16)9-17-3-1-2-15-17/h1-3,6,10,12H,4-5,7-9H2/t12-/m1/s1
InChIKeyQDEJBMMWZRWHIL-GFCCVEGCSA-N
XLogP2.61
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
3-methyl-7-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95290364
1,3-dimethyl-6-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 95279155
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
N-ethyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95279235
(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 95277466
N,N-dimethyl-2-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95277424

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95289806) is (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is Brc1cc(CN2CCO[C@@H](Cn3cccn3)C2)cs1.
What is the InChIKey of (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is QDEJBMMWZRWHIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16BrN3OS/c14-13-6-11(10-19-13)7-16-4-5-18-12(8-16)9-17-3-1-2-15-17/h1-3,6,10,12H,4-5,7-9H2/t12-/m1/s1.
What are the key properties of (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 342.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95289806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).