2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

C14H20N4OS — CID 43233127

IUPAC2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESc1csc(-c2[nH]ncc2CNCCN2CCOCC2)c1
InChIInChI=1S/C14H20N4OS/c1-2-13(20-9-1)14-12(11-16-17-14)10-15-3-4-18-5-7-19-8-6-18/h1-2,9,11,15H,3-8,10H2,(H,16,17)
InChIKeyILDZIXNMFARRQK-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.56
Rot. Bonds6

About 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 43233127) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID43233127
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESc1csc(-c2[nH]ncc2CNCCN2CCOCC2)c1
InChIInChI=1S/C14H20N4OS/c1-2-13(20-9-1)14-12(11-16-17-14)10-15-3-4-18-5-7-19-8-6-18/h1-2,9,11,15H,3-8,10H2,(H,16,17)
InChIKeyILDZIXNMFARRQK-UHFFFAOYSA-N
XLogP1.56
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 43233127) is 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is c1csc(-c2[nH]ncc2CNCCN2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is ILDZIXNMFARRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-13(20-9-1)14-12(11-16-17-14)10-15-3-4-18-5-7-19-8-6-18/h1-2,9,11,15H,3-8,10H2,(H,16,17).
What are the key properties of 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 292.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43233127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).