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

C12H20N4O2 — CID 62081724

IUPAC2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESCn1cc(CC(CN)C(=O)N2CCOCC2)cn1
InChIInChI=1S/C12H20N4O2/c1-15-9-10(8-14-15)6-11(7-13)12(17)16-2-4-18-5-3-16/h8-9,11H,2-7,13H2,1H3
InChIKeyHMIPVUPIIODSIP-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.60
Rot. Bonds4

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

2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 62081724) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID62081724
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESCn1cc(CC(CN)C(=O)N2CCOCC2)cn1
InChIInChI=1S/C12H20N4O2/c1-15-9-10(8-14-15)6-11(7-13)12(17)16-2-4-18-5-3-16/h8-9,11H,2-7,13H2,1H3
InChIKeyHMIPVUPIIODSIP-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-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one (CID 62081724) is 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one is Cn1cc(CC(CN)C(=O)N2CCOCC2)cn1.
What is the InChIKey of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is HMIPVUPIIODSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-9-10(8-14-15)6-11(7-13)12(17)16-2-4-18-5-3-16/h8-9,11H,2-7,13H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one?
2-(aminomethyl)-3-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 62081724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).