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

C16H23N3O — CID 116608024

IUPAC4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
SMILESCCCC(N)CC(=O)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-3-7-12(17)10-13(20)11-15-14-8-5-6-9-16(14)19(4-2)18-15/h5-6,8-9,12H,3-4,7,10-11,17H2,1-2H3
InChIKeyHFFNOEYRTSMQKR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds7

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

4-amino-1-(1-ethylindazol-3-yl)heptan-2-one (PubChem CID 116608024) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-amino-1-(1-ethylindazol-3-yl)heptan-2-one.

Molecular Properties

Compound Name4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
PubChem CID116608024
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
SMILESCCCC(N)CC(=O)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-3-7-12(17)10-13(20)11-15-14-8-5-6-9-16(14)19(4-2)18-15/h5-6,8-9,12H,3-4,7,10-11,17H2,1-2H3
InChIKeyHFFNOEYRTSMQKR-UHFFFAOYSA-N
XLogP2.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
CID 116613650
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
1-[(1-ethylindazol-3-yl)methylsulfonyl]butan-2-amine
CID 81194765
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
CID 116559188
1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
CID 116560043
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
CID 116717506
3-[(1-ethylindazol-3-yl)methylsulfonyl]butanoic acid
CID 66115028

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-ethylindazol-3-yl)heptan-2-one?
The IUPAC name of 4-amino-1-(1-ethylindazol-3-yl)heptan-2-one (CID 116608024) is 4-amino-1-(1-ethylindazol-3-yl)heptan-2-one.
What is the SMILES notation for 4-amino-1-(1-ethylindazol-3-yl)heptan-2-one?
The canonical SMILES for 4-amino-1-(1-ethylindazol-3-yl)heptan-2-one is CCCC(N)CC(=O)Cc1nn(CC)c2ccccc12.
What is the InChIKey of 4-amino-1-(1-ethylindazol-3-yl)heptan-2-one?
The InChIKey is HFFNOEYRTSMQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-7-12(17)10-13(20)11-15-14-8-5-6-9-16(14)19(4-2)18-15/h5-6,8-9,12H,3-4,7,10-11,17H2,1-2H3.
What are the key properties of 4-amino-1-(1-ethylindazol-3-yl)heptan-2-one?
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.69, 7 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)heptan-2-one is sourced from PubChem (CID 116608024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).