3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one

C12H21N3O2 — CID 114671018

IUPAC3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
SMILESCCCC(N)CC(=O)c1c(OC)cnn1CC
InChIInChI=1S/C12H21N3O2/c1-4-6-9(13)7-10(16)12-11(17-3)8-14-15(12)5-2/h8-9H,4-7,13H2,1-3H3
InChIKeyHLUCRZFQRATMEC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.61
Rot. Bonds7

About 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one

3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one (PubChem CID 114671018) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one.

Molecular Properties

Compound Name3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
PubChem CID114671018
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
SMILESCCCC(N)CC(=O)c1c(OC)cnn1CC
InChIInChI=1S/C12H21N3O2/c1-4-6-9(13)7-10(16)12-11(17-3)8-14-15(12)5-2/h8-9H,4-7,13H2,1-3H3
InChIKeyHLUCRZFQRATMEC-UHFFFAOYSA-N
XLogP1.61
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
CID 114668323
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639766
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114640294
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)hexan-1-one
CID 114671020
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670325
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one?
The IUPAC name of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one (CID 114671018) is 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one.
What is the SMILES notation for 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one?
The canonical SMILES for 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one is CCCC(N)CC(=O)c1c(OC)cnn1CC.
What is the InChIKey of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one?
The InChIKey is HLUCRZFQRATMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-9(13)7-10(16)12-11(17-3)8-14-15(12)5-2/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one?
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one has a molecular weight of 239.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one is sourced from PubChem (CID 114671018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).