1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one

C17H22N2O — CID 114981052

IUPAC1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
SMILESCCn1nc(CC(=O)CC2CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-2-19-17-10-6-5-9-15(17)16(18-19)12-14(20)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyGWPZEDWYASZLSZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.75
Rot. Bonds5

About 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one

1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one (PubChem CID 114981052) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
PubChem CID114981052
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
SMILESCCn1nc(CC(=O)CC2CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-2-19-17-10-6-5-9-15(17)16(18-19)12-14(20)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyGWPZEDWYASZLSZ-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116560043
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
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1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
1-(1-methylindazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105111089
2-[1-[(1-ethylindazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 136532272
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one?
The IUPAC name of 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one (CID 114981052) is 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one is CCn1nc(CC(=O)CC2CCCC2)c2ccccc21.
What is the InChIKey of 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one?
The InChIKey is GWPZEDWYASZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-19-17-10-6-5-9-15(17)16(18-19)12-14(20)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one?
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one is sourced from PubChem (CID 114981052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).