1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol

C10H19N3O — CID 83831395

IUPAC1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cn[nH]c1C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-10(2,3)9-7(5-12-13-9)8(14)6-11-4/h5,8,11,14H,6H2,1-4H3,(H,12,13)
InChIKeyVTGTYITUTPXKDY-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.96
Rot. Bonds3

About 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol

1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol (PubChem CID 83831395) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol
PubChem CID83831395
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cn[nH]c1C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-10(2,3)9-7(5-12-13-9)8(14)6-11-4/h5,8,11,14H,6H2,1-4H3,(H,12,13)
InChIKeyVTGTYITUTPXKDY-UHFFFAOYSA-N
XLogP0.96
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol (CID 83831395) is 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol is CNCC(O)c1cn[nH]c1C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol?
The InChIKey is VTGTYITUTPXKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,3)9-7(5-12-13-9)8(14)6-11-4/h5,8,11,14H,6H2,1-4H3,(H,12,13).
What are the key properties of 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol?
1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol has a molecular weight of 197.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 83831395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).