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

C17H26N2O2 — CID 116712988

IUPAC1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCCn1nc(CC(O)C(OC)C(C)(C)C)c2ccccc21
InChIInChI=1S/C17H26N2O2/c1-6-19-14-10-8-7-9-12(14)13(18-19)11-15(20)16(21-5)17(2,3)4/h7-10,15-16,20H,6,11H2,1-5H3
InChIKeyHDOIAWKRYKKEOO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.02
Rot. Bonds5

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

1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol (PubChem CID 116712988) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
PubChem CID116712988
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCCn1nc(CC(O)C(OC)C(C)(C)C)c2ccccc21
InChIInChI=1S/C17H26N2O2/c1-6-19-14-10-8-7-9-12(14)13(18-19)11-15(20)16(21-5)17(2,3)4/h7-10,15-16,20H,6,11H2,1-5H3
InChIKeyHDOIAWKRYKKEOO-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
CID 116713352
2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
CID 79449826
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
CID 106695746
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol
CID 66026128

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol (CID 116712988) is 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol is CCn1nc(CC(O)C(OC)C(C)(C)C)c2ccccc21.
What is the InChIKey of 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol?
The InChIKey is HDOIAWKRYKKEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-19-14-10-8-7-9-12(14)13(18-19)11-15(20)16(21-5)17(2,3)4/h7-10,15-16,20H,6,11H2,1-5H3.
What are the key properties of 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol?
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 116712988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).