3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline

C10H10BrN3O — CID 81342669

IUPAC3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
SMILESCc1cc(Oc2ccc(N)cc2Br)n[nH]1
InChIInChI=1S/C10H10BrN3O/c1-6-4-10(14-13-6)15-9-3-2-7(12)5-8(9)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyUQJOYJBSUIAHRT-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.86
Rot. Bonds2

About 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline

3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline (PubChem CID 81342669) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline.

Molecular Properties

Compound Name3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
PubChem CID81342669
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
SMILESCc1cc(Oc2ccc(N)cc2Br)n[nH]1
InChIInChI=1S/C10H10BrN3O/c1-6-4-10(14-13-6)15-9-3-2-7(12)5-8(9)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyUQJOYJBSUIAHRT-UHFFFAOYSA-N
XLogP2.86
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline 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

N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
CID 81341285
8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine
CID 103140085
3-bromo-4-(5-bromo-2-methylphenoxy)aniline
CID 107283299
4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 81342391
5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 114893362
4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile
CID 104712741
5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridin-3-amine
CID 81341926
3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 115550991
3-bromo-4-(3-fluoro-4-methylphenoxy)aniline
CID 107168516
4-ethoxy-3-(5-methyl-1H-pyrazol-3-yl)aniline
CID 166276038
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline
CID 82995322

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The IUPAC name of 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline (CID 81342669) is 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline.
What is the SMILES notation for 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The canonical SMILES for 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline is Cc1cc(Oc2ccc(N)cc2Br)n[nH]1.
What is the InChIKey of 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The InChIKey is UQJOYJBSUIAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-6-4-10(14-13-6)15-9-3-2-7(12)5-8(9)11/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline has a molecular weight of 268.11 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline is sourced from PubChem (CID 81342669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).