2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol

C14H20N2O2 — CID 79450032

IUPAC2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol
SMILESCCC(CO)(CO)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H20N2O2/c1-3-14(9-17,10-18)8-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,17-18H,3,8-10H2,1-2H3
InChIKeyVZRNCKQMGSSJFX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds5

About 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol

2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol (PubChem CID 79450032) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol
PubChem CID79450032
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol
SMILESCCC(CO)(CO)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H20N2O2/c1-3-14(9-17,10-18)8-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,17-18H,3,8-10H2,1-2H3
InChIKeyVZRNCKQMGSSJFX-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol
CID 103880578
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
N-methyl-N-[(1-methylindazol-3-yl)methyl]hydroxylamine
CID 82604100
ethyl 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]butanoate
CID 106487524
3-(hydroxymethyl)-1-methylcinnolin-4-one
CID 146273562
3-butyl-1-methylindazole;ethane;3-(1-methylindazol-3-yl)propan-1-ol
CID 91002928
2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid
CID 106488013
3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
CID 116713352
2-(1-methylindazol-3-yl)acetamide
CID 67465474
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 112566831
2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
CID 79449826

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol (CID 79450032) is 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol is CCC(CO)(CO)Cc1nn(C)c2ccccc12.
What is the InChIKey of 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol?
The InChIKey is VZRNCKQMGSSJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(9-17,10-18)8-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,17-18H,3,8-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol?
2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol has a molecular weight of 248.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 79450032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).