4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine

C13H23N3O — CID 20605564

IUPAC4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine
SMILESCC(C)c1ccn(CCCN2CCOCC2)n1
InChIInChI=1S/C13H23N3O/c1-12(2)13-4-7-16(14-13)6-3-5-15-8-10-17-11-9-15/h4,7,12H,3,5-6,8-11H2,1-2H3
InChIKeyUYNZWCQNDMTDFG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.73
Rot. Bonds5

About 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine

4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine (PubChem CID 20605564) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine
PubChem CID20605564
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine
SMILESCC(C)c1ccn(CCCN2CCOCC2)n1
InChIInChI=1S/C13H23N3O/c1-12(2)13-4-7-16(14-13)6-3-5-15-8-10-17-11-9-15/h4,7,12H,3,5-6,8-11H2,1-2H3
InChIKeyUYNZWCQNDMTDFG-UHFFFAOYSA-N
XLogP1.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine (CID 20605564) is 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine is CC(C)c1ccn(CCCN2CCOCC2)n1.
What is the InChIKey of 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine?
The InChIKey is UYNZWCQNDMTDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2)13-4-7-16(14-13)6-3-5-15-8-10-17-11-9-15/h4,7,12H,3,5-6,8-11H2,1-2H3.
What are the key properties of 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine?
4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine has a molecular weight of 237.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-propan-2-ylpyrazol-1-yl)propyl]morpholine is sourced from PubChem (CID 20605564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).