1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol

C9H17N3O2 — CID 165479889

IUPAC1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol
SMILESCNCC(O)c1c(C)cnn1COC
InChIInChI=1S/C9H17N3O2/c1-7-4-11-12(6-14-3)9(7)8(13)5-10-2/h4,8,10,13H,5-6H2,1-3H3
InChIKeyPSQFSWMITOYRKO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.05
Rot. Bonds5

About 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol

1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol (PubChem CID 165479889) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol
PubChem CID165479889
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol
SMILESCNCC(O)c1c(C)cnn1COC
InChIInChI=1S/C9H17N3O2/c1-7-4-11-12(6-14-3)9(7)8(13)5-10-2/h4,8,10,13H,5-6H2,1-3H3
InChIKeyPSQFSWMITOYRKO-UHFFFAOYSA-N
XLogP0.05
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol?
The IUPAC name of 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol (CID 165479889) is 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol is CNCC(O)c1c(C)cnn1COC.
What is the InChIKey of 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol?
The InChIKey is PSQFSWMITOYRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-4-11-12(6-14-3)9(7)8(13)5-10-2/h4,8,10,13H,5-6H2,1-3H3.
What are the key properties of 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol?
1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol has a molecular weight of 199.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-4-methylpyrazol-5-yl]-2-(methylamino)ethanol is sourced from PubChem (CID 165479889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).