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

C14H25N3O — CID 116590478

IUPAC3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
SMILESCCC(CC)n1ccc(CC(=O)C(C)(N)CC)n1
InChIInChI=1S/C14H25N3O/c1-5-12(6-2)17-9-8-11(16-17)10-13(18)14(4,15)7-3/h8-9,12H,5-7,10,15H2,1-4H3
InChIKeyHLFAONYJIOCWOX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.48
Rot. Bonds7

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

3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one (PubChem CID 116590478) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
PubChem CID116590478
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
SMILESCCC(CC)n1ccc(CC(=O)C(C)(N)CC)n1
InChIInChI=1S/C14H25N3O/c1-5-12(6-2)17-9-8-11(16-17)10-13(18)14(4,15)7-3/h8-9,12H,5-7,10,15H2,1-4H3
InChIKeyHLFAONYJIOCWOX-UHFFFAOYSA-N
XLogP2.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
7-amino-5,5-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-one
CID 116574945
1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114
2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid
CID 106487387
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783360
2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide
CID 64784152
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779874
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-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one?
The IUPAC name of 3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one (CID 116590478) is 3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one.
What is the SMILES notation for 3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one?
The canonical SMILES for 3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one is CCC(CC)n1ccc(CC(=O)C(C)(N)CC)n1.
What is the InChIKey of 3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one?
The InChIKey is HLFAONYJIOCWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-12(6-2)17-9-8-11(16-17)10-13(18)14(4,15)7-3/h8-9,12H,5-7,10,15H2,1-4H3.
What are the key properties of 3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one?
3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one is sourced from PubChem (CID 116590478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).