4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine

C11H19N3O — CID 58477460

IUPAC4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine
SMILESCC(C)(C)c1cn[nH]c1N1CCOCC1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-8-12-13-10(9)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyAKWYJKMDTGCJHL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.54
Rot. Bonds1

About 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine

4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine (PubChem CID 58477460) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine
PubChem CID58477460
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine
SMILESCC(C)(C)c1cn[nH]c1N1CCOCC1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-8-12-13-10(9)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyAKWYJKMDTGCJHL-UHFFFAOYSA-N
XLogP1.54
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine?
The IUPAC name of 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine (CID 58477460) is 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine?
The canonical SMILES for 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine is CC(C)(C)c1cn[nH]c1N1CCOCC1.
What is the InChIKey of 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine?
The InChIKey is AKWYJKMDTGCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9-8-12-13-10(9)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine?
4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine has a molecular weight of 209.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 58477460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).