2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone

C15H20N4O2S — CID 53193278

IUPAC2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C15H20N4O2S/c1-18(11-15(20)19-4-6-21-7-5-19)10-12-9-13(17-16-12)14-3-2-8-22-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,16,17)
InChIKeyRDJGLYWAOQHLCZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.43
Rot. Bonds5

About 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone

2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone (PubChem CID 53193278) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone
PubChem CID53193278
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C15H20N4O2S/c1-18(11-15(20)19-4-6-21-7-5-19)10-12-9-13(17-16-12)14-3-2-8-22-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,16,17)
InChIKeyRDJGLYWAOQHLCZ-UHFFFAOYSA-N
XLogP1.43
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone (CID 53193278) is 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone?
The InChIKey is RDJGLYWAOQHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18(11-15(20)19-4-6-21-7-5-19)10-12-9-13(17-16-12)14-3-2-8-22-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone?
2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone has a molecular weight of 320.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 53193278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).