4-bromo-1-(oxan-4-yl)pyrazol-3-amine

C8H12BrN3O — CID 63938031

IUPAC4-bromo-1-(oxan-4-yl)pyrazol-3-amine
SMILESNc1nn(C2CCOCC2)cc1Br
InChIInChI=1S/C8H12BrN3O/c9-7-5-12(11-8(7)10)6-1-3-13-4-2-6/h5-6H,1-4H2,(H2,10,11)
InChIKeyFWTYKCAUOJGXNN-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.58
Rot. Bonds1

About 4-bromo-1-(oxan-4-yl)pyrazol-3-amine

4-bromo-1-(oxan-4-yl)pyrazol-3-amine (PubChem CID 63938031) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 4-bromo-1-(oxan-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(oxan-4-yl)pyrazol-3-amine
PubChem CID63938031
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name4-bromo-1-(oxan-4-yl)pyrazol-3-amine
SMILESNc1nn(C2CCOCC2)cc1Br
InChIInChI=1S/C8H12BrN3O/c9-7-5-12(11-8(7)10)6-1-3-13-4-2-6/h5-6H,1-4H2,(H2,10,11)
InChIKeyFWTYKCAUOJGXNN-UHFFFAOYSA-N
XLogP1.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-(oxan-4-yl)pyrazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-Bromo-1-(oxan-4-yl)-1H-pyrazole
CID 51063926
1-(oxan-4-yl)-1H-pyrazol-3-amine
CID 63937838
4-bromo-1-cyclohexyl-1H-pyrazol-3-amine
CID 61177536
4-Bromo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine
CID 61491389
4-Bromo-5-fluoro-1-(oxan-4-yl)pyrazole
CID 115046453
4-bromo-1-[3-(trifluoromethoxy)propyl]-1H-pyrazol-3-amine
CID 165794849
1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-amine
CID 43608662
4-Bromo-1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 61175231
4-Bromo-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-pyrazol-5-amine
CID 62386888
4-(Methyliminomethyl)-1-(oxan-4-yl)pyrazol-5-amine
CID 90886654
4-Bromo-1-(oxan-2-yl)pyrazol-5-amine
CID 130133318
[4-Bromo-1-(oxan-2-yl)pyrazol-3-yl]-methoxyazanium
CID 144026020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(oxan-4-yl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(oxan-4-yl)pyrazol-3-amine (CID 63938031) is 4-bromo-1-(oxan-4-yl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(oxan-4-yl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(oxan-4-yl)pyrazol-3-amine is Nc1nn(C2CCOCC2)cc1Br.
What is the InChIKey of 4-bromo-1-(oxan-4-yl)pyrazol-3-amine?
The InChIKey is FWTYKCAUOJGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-7-5-12(11-8(7)10)6-1-3-13-4-2-6/h5-6H,1-4H2,(H2,10,11).
What are the key properties of 4-bromo-1-(oxan-4-yl)pyrazol-3-amine?
4-bromo-1-(oxan-4-yl)pyrazol-3-amine has a molecular weight of 246.11 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(oxan-4-yl)pyrazol-3-amine is sourced from PubChem (CID 63938031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).