4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine

C14H25N3O2 — CID 116805390

IUPAC4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine
SMILESCC(C)N1CCOC(COc2cnn(C(C)C)c2)C1
InChIInChI=1S/C14H25N3O2/c1-11(2)16-5-6-18-14(8-16)10-19-13-7-15-17(9-13)12(3)4/h7,9,11-12,14H,5-6,8,10H2,1-4H3
InChIKeyMFHHYXOWRJBSNB-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.95
Rot. Bonds5

About 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine

4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine (PubChem CID 116805390) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine
PubChem CID116805390
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine
SMILESCC(C)N1CCOC(COc2cnn(C(C)C)c2)C1
InChIInChI=1S/C14H25N3O2/c1-11(2)16-5-6-18-14(8-16)10-19-13-7-15-17(9-13)12(3)4/h7,9,11-12,14H,5-6,8,10H2,1-4H3
InChIKeyMFHHYXOWRJBSNB-UHFFFAOYSA-N
XLogP1.95
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine?
The IUPAC name of 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine (CID 116805390) is 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine.
What is the SMILES notation for 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine?
The canonical SMILES for 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine is CC(C)N1CCOC(COc2cnn(C(C)C)c2)C1.
What is the InChIKey of 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine?
The InChIKey is MFHHYXOWRJBSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)16-5-6-18-14(8-16)10-19-13-7-15-17(9-13)12(3)4/h7,9,11-12,14H,5-6,8,10H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine?
4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine has a molecular weight of 267.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine is sourced from PubChem (CID 116805390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).