1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol

C17H24N2O2 — CID 103452206

IUPAC1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
SMILESCn1nc(CC(O)C2(O)CCCCCC2)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-19-15-9-5-4-8-13(15)14(18-19)12-16(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,16,20-21H,2-3,6-7,10-12H2,1H3
InChIKeyKYUKOVKWHCENMV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.56
Rot. Bonds3

About 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol

1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol (PubChem CID 103452206) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
PubChem CID103452206
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
SMILESCn1nc(CC(O)C2(O)CCCCCC2)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-19-15-9-5-4-8-13(15)14(18-19)12-16(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,16,20-21H,2-3,6-7,10-12H2,1H3
InChIKeyKYUKOVKWHCENMV-UHFFFAOYSA-N
XLogP2.56
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol
CID 107192548
1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
CID 103450366
1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol
CID 103452132
1-[(1-methylindazol-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80610067
1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
CID 116558804
2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
CID 80684499
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
1-(3-methylfuran-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 104800718
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451661
3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol
CID 79949803
3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
CID 80699586

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol?
The IUPAC name of 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol (CID 103452206) is 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol is Cn1nc(CC(O)C2(O)CCCCCC2)c2ccccc21.
What is the InChIKey of 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol?
The InChIKey is KYUKOVKWHCENMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19-15-9-5-4-8-13(15)14(18-19)12-16(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,16,20-21H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol?
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).