3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one

C15H27N3O — CID 116592810

IUPAC3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
SMILESCCC(CC)n1ccc(CC(=O)C(N)(CC)CC)n1
InChIInChI=1S/C15H27N3O/c1-5-13(6-2)18-10-9-12(17-18)11-14(19)15(16,7-3)8-4/h9-10,13H,5-8,11,16H2,1-4H3
InChIKeyXOIXQJJKULJBIA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.87
Rot. Bonds8

About 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one

3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one (PubChem CID 116592810) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
PubChem CID116592810
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
SMILESCCC(CC)n1ccc(CC(=O)C(N)(CC)CC)n1
InChIInChI=1S/C15H27N3O/c1-5-13(6-2)18-10-9-12(17-18)11-14(19)15(16,7-3)8-4/h9-10,13H,5-8,11,16H2,1-4H3
InChIKeyXOIXQJJKULJBIA-UHFFFAOYSA-N
XLogP2.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116590478
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783360
2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid
CID 106487387
7-amino-5,5-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-one
CID 116574945
2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide
CID 64784152
3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one
CID 103447034
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one (CID 116592810) is 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one is CCC(CC)n1ccc(CC(=O)C(N)(CC)CC)n1.
What is the InChIKey of 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one?
The InChIKey is XOIXQJJKULJBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-13(6-2)18-10-9-12(17-18)11-14(19)15(16,7-3)8-4/h9-10,13H,5-8,11,16H2,1-4H3.
What are the key properties of 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one?
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one has a molecular weight of 265.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one is sourced from PubChem (CID 116592810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).