1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol

C14H28N4O2 — CID 79385295

IUPAC1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(O)Cn1nc(C)c(N)c1C)CC(C)(C)O
InChIInChI=1S/C14H28N4O2/c1-6-17(9-14(4,5)20)7-12(19)8-18-11(3)13(15)10(2)16-18/h12,19-20H,6-9,15H2,1-5H3
InChIKeyPQBUULXLQVZWHS-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.54
Rot. Bonds7

About 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol

1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79385295) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79385295
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(O)Cn1nc(C)c(N)c1C)CC(C)(C)O
InChIInChI=1S/C14H28N4O2/c1-6-17(9-14(4,5)20)7-12(19)8-18-11(3)13(15)10(2)16-18/h12,19-20H,6-9,15H2,1-5H3
InChIKeyPQBUULXLQVZWHS-UHFFFAOYSA-N
XLogP0.54
TPSA87.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol (CID 79385295) is 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol is CCN(CC(O)Cn1nc(C)c(N)c1C)CC(C)(C)O.
What is the InChIKey of 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is PQBUULXLQVZWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-6-17(9-14(4,5)20)7-12(19)8-18-11(3)13(15)10(2)16-18/h12,19-20H,6-9,15H2,1-5H3.
What are the key properties of 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol?
1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79385295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).