N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine

C16H24N4OS — CID 51104719

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(C)c1cccs1
InChIInChI=1S/C16H24N4OS/c1-12-14(11-17-13(2)15-5-4-10-22-15)16(19(3)18-12)20-6-8-21-9-7-20/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyJZWAGLGMIDOLTI-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.48
Rot. Bonds5

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 51104719) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID51104719
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(C)c1cccs1
InChIInChI=1S/C16H24N4OS/c1-12-14(11-17-13(2)15-5-4-10-22-15)16(19(3)18-12)20-6-8-21-9-7-20/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyJZWAGLGMIDOLTI-UHFFFAOYSA-N
XLogP2.48
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine (CID 51104719) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine is Cc1nn(C)c(N2CCOCC2)c1CNC(C)c1cccs1.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is JZWAGLGMIDOLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12-14(11-17-13(2)15-5-4-10-22-15)16(19(3)18-12)20-6-8-21-9-7-20/h4-5,10,13,17H,6-9,11H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 320.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 51104719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).