2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one

C11H20N4O2 — CID 114668269

IUPAC2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
SMILESCOc1cnn(CCN(C)C)c1C(=O)C(C)N
InChIInChI=1S/C11H20N4O2/c1-8(12)11(16)10-9(17-4)7-13-15(10)6-5-14(2)3/h7-8H,5-6,12H2,1-4H3
InChIKeyRXGOWFIWZHZGHR-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.02
Rot. Bonds6

About 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one

2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one (PubChem CID 114668269) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
PubChem CID114668269
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
SMILESCOc1cnn(CCN(C)C)c1C(=O)C(C)N
InChIInChI=1S/C11H20N4O2/c1-8(12)11(16)10-9(17-4)7-13-15(10)6-5-14(2)3/h7-8H,5-6,12H2,1-4H3
InChIKeyRXGOWFIWZHZGHR-UHFFFAOYSA-N
XLogP-0.02
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methylpentan-1-one
CID 114668362
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
CID 114642562
2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114671355
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 114640484
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3,4,4-trimethylpentan-1-one
CID 115803152
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(propan-2-ylamino)propan-1-one
CID 114668539
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one?
The IUPAC name of 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one (CID 114668269) is 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one is COc1cnn(CCN(C)C)c1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one?
The InChIKey is RXGOWFIWZHZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(12)11(16)10-9(17-4)7-13-15(10)6-5-14(2)3/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one?
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one has a molecular weight of 240.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one is sourced from PubChem (CID 114668269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).