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

C16H24N2O — CID 66026128

IUPAC2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C16H24N2O/c1-4-10-16(3,12-19)11-14-13-8-6-7-9-15(13)18(5-2)17-14/h6-9,19H,4-5,10-12H2,1-3H3
InChIKeyQPVAUTBHBUTEKH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.40
Rot. Bonds6

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

2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol (PubChem CID 66026128) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol
PubChem CID66026128
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C16H24N2O/c1-4-10-16(3,12-19)11-14-13-8-6-7-9-15(13)18(5-2)17-14/h6-9,19H,4-5,10-12H2,1-3H3
InChIKeyQPVAUTBHBUTEKH-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
CID 79449826
3-[2-(chloromethyl)-2-methylpentyl]-1-ethylindazole
CID 66034467
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567902
1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol
CID 66037989
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol
CID 106506896
5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391529
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid
CID 106487389
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
2-[(1-ethylindazol-3-yl)methylsulfinyl]-2-methylpropanoic acid
CID 81227822

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol (CID 66026128) is 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol is CCCC(C)(CO)Cc1nn(CC)c2ccccc12.
What is the InChIKey of 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol?
The InChIKey is QPVAUTBHBUTEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-10-16(3,12-19)11-14-13-8-6-7-9-15(13)18(5-2)17-14/h6-9,19H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol?
2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.40, 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]-2-methylpentan-1-ol is sourced from PubChem (CID 66026128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).