2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone

C14H24N4O2 — CID 43647773

IUPAC2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCCNCc1c(C)nn(CC(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H24N4O2/c1-4-15-9-13-11(2)16-18(12(13)3)10-14(19)17-5-7-20-8-6-17/h15H,4-10H2,1-3H3
InChIKeyBJYJGTAXGWZCGO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.47
Rot. Bonds5

About 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone

2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 43647773) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID43647773
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCCNCc1c(C)nn(CC(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H24N4O2/c1-4-15-9-13-11(2)16-18(12(13)3)10-14(19)17-5-7-20-8-6-17/h15H,4-10H2,1-3H3
InChIKeyBJYJGTAXGWZCGO-UHFFFAOYSA-N
XLogP0.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone (CID 43647773) is 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone is CCNCc1c(C)nn(CC(=O)N2CCOCC2)c1C.
What is the InChIKey of 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is BJYJGTAXGWZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-15-9-13-11(2)16-18(12(13)3)10-14(19)17-5-7-20-8-6-17/h15H,4-10H2,1-3H3.
What are the key properties of 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone?
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 280.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 43647773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).