4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine

C10H16BrN3O — CID 175845603

IUPAC4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine
SMILESCC(C)n1ncc(Br)c1N1CCOCC1
InChIInChI=1S/C10H16BrN3O/c1-8(2)14-10(9(11)7-12-14)13-3-5-15-6-4-13/h7-8H,3-6H2,1-2H3
InChIKeyFDHJZFSDBGIDFM-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.06
Rot. Bonds2

About 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine

4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine (PubChem CID 175845603) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine
PubChem CID175845603
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine
SMILESCC(C)n1ncc(Br)c1N1CCOCC1
InChIInChI=1S/C10H16BrN3O/c1-8(2)14-10(9(11)7-12-14)13-3-5-15-6-4-13/h7-8H,3-6H2,1-2H3
InChIKeyFDHJZFSDBGIDFM-UHFFFAOYSA-N
XLogP2.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine?
The IUPAC name of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine (CID 175845603) is 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine.
What is the SMILES notation for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine?
The canonical SMILES for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine is CC(C)n1ncc(Br)c1N1CCOCC1.
What is the InChIKey of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine?
The InChIKey is FDHJZFSDBGIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-8(2)14-10(9(11)7-12-14)13-3-5-15-6-4-13/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine?
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine has a molecular weight of 274.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine is sourced from PubChem (CID 175845603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).