1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone

C15H19N3O — CID 116558804

IUPAC1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)C2(N)CCCC2)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-13-7-3-2-6-11(13)12(17-18)10-14(19)15(16)8-4-5-9-15/h2-3,6-7H,4-5,8-10,16H2,1H3
InChIKeyODMFSPMDGHIHBX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.96
Rot. Bonds3

About 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone

1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 116558804) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID116558804
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)C2(N)CCCC2)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-13-7-3-2-6-11(13)12(17-18)10-14(19)15(16)8-4-5-9-15/h2-3,6-7H,4-5,8-10,16H2,1H3
InChIKeyODMFSPMDGHIHBX-UHFFFAOYSA-N
XLogP1.96
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
CID 103450366
2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
CID 80684499
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 116608186
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 122111228
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
(3S)-1-[2-(1-methylindazol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 122107141
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560889

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone (CID 116558804) is 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone is Cn1nc(CC(=O)C2(N)CCCC2)c2ccccc21.
What is the InChIKey of 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is ODMFSPMDGHIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-13-7-3-2-6-11(13)12(17-18)10-14(19)15(16)8-4-5-9-15/h2-3,6-7H,4-5,8-10,16H2,1H3.
What are the key properties of 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone?
1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 257.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 116558804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).