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

C17H22N2O2 — CID 103450366

IUPAC1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)C2(O)CCCCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-15-9-5-4-8-13(15)14(18-19)12-16(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,21H,2-3,6-7,10-12H2,1H3
InChIKeyQVMPRTMDEJQESD-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.77
Rot. Bonds3

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

1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 103450366) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID103450366
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)C2(O)CCCCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-15-9-5-4-8-13(15)14(18-19)12-16(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,21H,2-3,6-7,10-12H2,1H3
InChIKeyQVMPRTMDEJQESD-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
CID 116558804
2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
CID 80684499
1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 116608186
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
1-[(1-methylindazol-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80610067
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one
CID 116559545
(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

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone (CID 103450366) is 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone is Cn1nc(CC(=O)C2(O)CCCCCC2)c2ccccc21.
What is the InChIKey of 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is QVMPRTMDEJQESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-15-9-5-4-8-13(15)14(18-19)12-16(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,21H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone?
1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 286.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 103450366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).