1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol

C12H22N4O3 — CID 81205949

IUPAC1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
SMILESCC1COC(CO)CN1CC(O)Cn1cc(N)cn1
InChIInChI=1S/C12H22N4O3/c1-9-8-19-12(7-17)6-15(9)4-11(18)5-16-3-10(13)2-14-16/h2-3,9,11-12,17-18H,4-8,13H2,1H3
InChIKeyMUOMECCJQXJBQE-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.09
Rot. Bonds5

About 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol (PubChem CID 81205949) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
PubChem CID81205949
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
SMILESCC1COC(CO)CN1CC(O)Cn1cc(N)cn1
InChIInChI=1S/C12H22N4O3/c1-9-8-19-12(7-17)6-15(9)4-11(18)5-16-3-10(13)2-14-16/h2-3,9,11-12,17-18H,4-8,13H2,1H3
InChIKeyMUOMECCJQXJBQE-UHFFFAOYSA-N
XLogP-1.09
TPSA96.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol (CID 81205949) is 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol is CC1COC(CO)CN1CC(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol?
The InChIKey is MUOMECCJQXJBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-9-8-19-12(7-17)6-15(9)4-11(18)5-16-3-10(13)2-14-16/h2-3,9,11-12,17-18H,4-8,13H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol has a molecular weight of 270.33 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 81205949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).