2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol

C14H20N2O2 — CID 79449826

IUPAC2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
SMILESCCn1nc(CC(C)(CO)CO)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-16-13-7-5-4-6-11(13)12(15-16)8-14(2,9-17)10-18/h4-7,17-18H,3,8-10H2,1-2H3
InChIKeyCYIYUHCCLPFOTM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.59
Rot. Bonds5

About 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol

2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol (PubChem CID 79449826) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
PubChem CID79449826
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
SMILESCCn1nc(CC(C)(CO)CO)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-16-13-7-5-4-6-11(13)12(15-16)8-14(2,9-17)10-18/h4-7,17-18H,3,8-10H2,1-2H3
InChIKeyCYIYUHCCLPFOTM-UHFFFAOYSA-N
XLogP1.59
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylindazol-3-yl)methyl]-2-methylpentan-1-ol
CID 66026128
3-[2-(chloromethyl)-2-methylpentyl]-1-ethylindazole
CID 66034467
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
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567902
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid
CID 106487389
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391529
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-methylpropane-1,3-diol?
The IUPAC name of 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol (CID 79449826) is 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol is CCn1nc(CC(C)(CO)CO)c2ccccc21.
What is the InChIKey of 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol?
The InChIKey is CYIYUHCCLPFOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16-13-7-5-4-6-11(13)12(15-16)8-14(2,9-17)10-18/h4-7,17-18H,3,8-10H2,1-2H3.
What are the key properties of 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol?
2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol has a molecular weight of 248.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 79449826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).