4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one

C15H21N3O — CID 116581243

IUPAC4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
SMILESCCn1nc(CC(=O)CC(C)(C)N)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-18-14-8-6-5-7-12(14)13(17-18)9-11(19)10-15(2,3)16/h5-8H,4,9-10,16H2,1-3H3
InChIKeyXBWPHZVFARRNQQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one

4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one (PubChem CID 116581243) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
PubChem CID116581243
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
SMILESCCn1nc(CC(=O)CC(C)(C)N)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-18-14-8-6-5-7-12(14)13(17-18)9-11(19)10-15(2,3)16/h5-8H,4,9-10,16H2,1-3H3
InChIKeyXBWPHZVFARRNQQ-UHFFFAOYSA-N
XLogP2.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
CID 116560043
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
CID 116559188
2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
CID 79449826
2-[(1-ethylindazol-3-yl)methylsulfinyl]-2-methylpropanoic acid
CID 81227822
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
CID 116613650
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one?
The IUPAC name of 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one (CID 116581243) is 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one?
The canonical SMILES for 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one is CCn1nc(CC(=O)CC(C)(C)N)c2ccccc21.
What is the InChIKey of 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one?
The InChIKey is XBWPHZVFARRNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-14-8-6-5-7-12(14)13(17-18)9-11(19)10-15(2,3)16/h5-8H,4,9-10,16H2,1-3H3.
What are the key properties of 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one?
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one is sourced from PubChem (CID 116581243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).