4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one

C14H25N3O — CID 116573647

IUPAC4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
SMILESCCc1cc(CC(=O)C(C)(C)C(C)(C)N)n(C)n1
InChIInChI=1S/C14H25N3O/c1-7-10-8-11(17(6)16-10)9-12(18)13(2,3)14(4,5)15/h8H,7,9,15H2,1-6H3
InChIKeyWEVYNGLDNCEMLX-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.86
Rot. Bonds5

About 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one

4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one (PubChem CID 116573647) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
PubChem CID116573647
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
SMILESCCc1cc(CC(=O)C(C)(C)C(C)(C)N)n(C)n1
InChIInChI=1S/C14H25N3O/c1-7-10-8-11(17(6)16-10)9-12(18)13(2,3)14(4,5)15/h8H,7,9,15H2,1-6H3
InChIKeyWEVYNGLDNCEMLX-UHFFFAOYSA-N
XLogP1.86
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588612
5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116571684
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methylbutanoic acid
CID 79801800
1-(2-aminocyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580195
1-(3-amino-4-methylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116550975
1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116601864
1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
CID 116566741

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one?
The IUPAC name of 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one (CID 116573647) is 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one.
What is the SMILES notation for 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one?
The canonical SMILES for 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one is CCc1cc(CC(=O)C(C)(C)C(C)(C)N)n(C)n1.
What is the InChIKey of 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one?
The InChIKey is WEVYNGLDNCEMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-10-8-11(17(6)16-10)9-12(18)13(2,3)14(4,5)15/h8H,7,9,15H2,1-6H3.
What are the key properties of 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one?
4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one is sourced from PubChem (CID 116573647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).