2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one

C12H20N4O2 — CID 114553858

IUPAC2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCn1nccc1CC(CN)C(=O)N1CCOCC1
InChIInChI=1S/C12H20N4O2/c1-15-11(2-3-14-15)8-10(9-13)12(17)16-4-6-18-7-5-16/h2-3,10H,4-9,13H2,1H3
InChIKeyWQMAOKAFCNPNSW-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.60
Rot. Bonds4

About 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one

2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 114553858) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID114553858
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCn1nccc1CC(CN)C(=O)N1CCOCC1
InChIInChI=1S/C12H20N4O2/c1-15-11(2-3-14-15)8-10(9-13)12(17)16-4-6-18-7-5-16/h2-3,10H,4-9,13H2,1H3
InChIKeyWQMAOKAFCNPNSW-UHFFFAOYSA-N
XLogP-0.60
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one (CID 114553858) is 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one is Cn1nccc1CC(CN)C(=O)N1CCOCC1.
What is the InChIKey of 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is WQMAOKAFCNPNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-11(2-3-14-15)8-10(9-13)12(17)16-4-6-18-7-5-16/h2-3,10H,4-9,13H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one?
2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 252.32 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 114553858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).