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

C13H23N3O2 — CID 114671046

IUPAC3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
SMILESCCn1ncc(OC)c1C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-6-16-12(10(18-5)8-15-16)9(17)7-11(14)13(2,3)4/h8,11H,6-7,14H2,1-5H3
InChIKeyAXWACRWJWOMMSS-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.86
Rot. Bonds5

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

3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one (PubChem CID 114671046) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
PubChem CID114671046
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
SMILESCCn1ncc(OC)c1C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-6-16-12(10(18-5)8-15-16)9(17)7-11(14)13(2,3)4/h8,11H,6-7,14H2,1-5H3
InChIKeyAXWACRWJWOMMSS-UHFFFAOYSA-N
XLogP1.86
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
CID 114671018
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
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114642639
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3,4,4-trimethylpentan-1-one
CID 115803152
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
2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670325
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)-4,4-dimethylpentan-1-one?
The IUPAC name of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one (CID 114671046) is 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one is CCn1ncc(OC)c1C(=O)CC(N)C(C)(C)C.
What is the InChIKey of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one?
The InChIKey is AXWACRWJWOMMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-16-12(10(18-5)8-15-16)9(17)7-11(14)13(2,3)4/h8,11H,6-7,14H2,1-5H3.
What are the key properties of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one?
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one has a molecular weight of 253.35 g/mol, XLogP of 1.86, 5 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)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 114671046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).