2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol

C16H24N2O — CID 66059172

IUPAC2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
SMILESCCn1nc(CC(CO)CC(C)C)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-18-16-8-6-5-7-14(16)15(17-18)10-13(11-19)9-12(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3
InChIKeyYAWRCLMIGZMRMI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.25
Rot. Bonds6

About 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol

2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol (PubChem CID 66059172) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
PubChem CID66059172
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
SMILESCCn1nc(CC(CO)CC(C)C)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-18-16-8-6-5-7-14(16)15(17-18)10-13(11-19)9-12(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3
InChIKeyYAWRCLMIGZMRMI-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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)-4-methylhexan-2-ol
CID 115813664
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443594
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
5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
CID 104879529
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol?
The IUPAC name of 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol (CID 66059172) is 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol is CCn1nc(CC(CO)CC(C)C)c2ccccc21.
What is the InChIKey of 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol?
The InChIKey is YAWRCLMIGZMRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-18-16-8-6-5-7-14(16)15(17-18)10-13(11-19)9-12(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3.
What are the key properties of 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol?
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol is sourced from PubChem (CID 66059172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).