2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine

C12H21N3O2 — CID 116794099

IUPAC2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2cnn(C)c2)C1
InChIInChI=1S/C12H21N3O2/c1-10(2)15-4-5-16-12(8-15)9-17-11-6-13-14(3)7-11/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyPGLDTFDACHMDDB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.91
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine

2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine (PubChem CID 116794099) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
PubChem CID116794099
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2cnn(C)c2)C1
InChIInChI=1S/C12H21N3O2/c1-10(2)15-4-5-16-12(8-15)9-17-11-6-13-14(3)7-11/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyPGLDTFDACHMDDB-UHFFFAOYSA-N
XLogP0.91
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine (CID 116794099) is 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(COc2cnn(C)c2)C1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine?
The InChIKey is PGLDTFDACHMDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)15-4-5-16-12(8-15)9-17-11-6-13-14(3)7-11/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine?
2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine has a molecular weight of 239.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 116794099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).