2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol

C11H21N3O2 — CID 107093949

IUPAC2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1ccnn1C
InChIInChI=1S/C11H21N3O2/c1-4-11(7-15,8-16)13-9(2)10-5-6-12-14(10)3/h5-6,9,13,15-16H,4,7-8H2,1-3H3
InChIKeyLWPURBKHHOYRJL-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.20
Rot. Bonds6

About 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol

2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol (PubChem CID 107093949) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol
PubChem CID107093949
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1ccnn1C
InChIInChI=1S/C11H21N3O2/c1-4-11(7-15,8-16)13-9(2)10-5-6-12-14(10)3/h5-6,9,13,15-16H,4,7-8H2,1-3H3
InChIKeyLWPURBKHHOYRJL-UHFFFAOYSA-N
XLogP0.20
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 106757861
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
2-N,2-N-diethyl-1-N,2-dimethyl-1-(2-methylpyrazol-3-yl)butane-1,2-diamine
CID 79068676
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 106758117
2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79067188

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol (CID 107093949) is 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol is CCC(CO)(CO)NC(C)c1ccnn1C.
What is the InChIKey of 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol?
The InChIKey is LWPURBKHHOYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-11(7-15,8-16)13-9(2)10-5-6-12-14(10)3/h5-6,9,13,15-16H,4,7-8H2,1-3H3.
What are the key properties of 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol?
2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol has a molecular weight of 227.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 107093949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).