2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine

C13H21N3O2 — CID 170591896

IUPAC2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine
SMILESCc1nn(C2CCC2)cc1OCC1CNCCO1
InChIInChI=1S/C13H21N3O2/c1-10-13(8-16(15-10)11-3-2-4-11)18-9-12-7-14-5-6-17-12/h8,11-12,14H,2-7,9H2,1H3
InChIKeyGVSBTBXKXBXQMM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds4

About 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine

2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine (PubChem CID 170591896) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine
PubChem CID170591896
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine
SMILESCc1nn(C2CCC2)cc1OCC1CNCCO1
InChIInChI=1S/C13H21N3O2/c1-10-13(8-16(15-10)11-3-2-4-11)18-9-12-7-14-5-6-17-12/h8,11-12,14H,2-7,9H2,1H3
InChIKeyGVSBTBXKXBXQMM-UHFFFAOYSA-N
XLogP1.28
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine?
The IUPAC name of 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine (CID 170591896) is 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine.
What is the SMILES notation for 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine?
The canonical SMILES for 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine is Cc1nn(C2CCC2)cc1OCC1CNCCO1.
What is the InChIKey of 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine?
The InChIKey is GVSBTBXKXBXQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-13(8-16(15-10)11-3-2-4-11)18-9-12-7-14-5-6-17-12/h8,11-12,14H,2-7,9H2,1H3.
What are the key properties of 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine?
2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine has a molecular weight of 251.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]morpholine is sourced from PubChem (CID 170591896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).