1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol

C16H24N2O — CID 115813657

IUPAC1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
SMILESCCn1nc(CC(O)C(C)C(C)C)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-5-18-15-9-7-6-8-13(15)14(17-18)10-16(19)12(4)11(2)3/h6-9,11-12,16,19H,5,10H2,1-4H3
InChIKeyYUHYORWMNOAYIW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.25
Rot. Bonds5

About 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol

1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol (PubChem CID 115813657) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
PubChem CID115813657
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
SMILESCCn1nc(CC(O)C(C)C(C)C)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-5-18-15-9-7-6-8-13(15)14(17-18)10-16(19)12(4)11(2)3/h6-9,11-12,16,19H,5,10H2,1-4H3
InChIKeyYUHYORWMNOAYIW-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
CID 106695746
4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443594
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
CID 79449826
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339
1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol
CID 106886306

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol?
The IUPAC name of 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol (CID 115813657) is 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol is CCn1nc(CC(O)C(C)C(C)C)c2ccccc21.
What is the InChIKey of 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol?
The InChIKey is YUHYORWMNOAYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-18-15-9-7-6-8-13(15)14(17-18)10-16(19)12(4)11(2)3/h6-9,11-12,16,19H,5,10H2,1-4H3.
What are the key properties of 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol?
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol is sourced from PubChem (CID 115813657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).