2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine

C11H18BrN3O — CID 64533551

IUPAC2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(Cn2cc(Br)cn2)C1
InChIInChI=1S/C11H18BrN3O/c1-9(2)14-3-4-16-11(7-14)8-15-6-10(12)5-13-15/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyFXCVWEOHVAKVCG-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.75
Rot. Bonds3

About 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine

2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine (PubChem CID 64533551) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
PubChem CID64533551
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(Cn2cc(Br)cn2)C1
InChIInChI=1S/C11H18BrN3O/c1-9(2)14-3-4-16-11(7-14)8-15-6-10(12)5-13-15/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyFXCVWEOHVAKVCG-UHFFFAOYSA-N
XLogP1.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine (CID 64533551) is 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(Cn2cc(Br)cn2)C1.
What is the InChIKey of 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine?
The InChIKey is FXCVWEOHVAKVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9(2)14-3-4-16-11(7-14)8-15-6-10(12)5-13-15/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine?
2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine has a molecular weight of 288.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 64533551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).