4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole

C8H8BrN3O — CID 130703277

IUPAC4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1oncc1Cn1cc(Br)cn1
InChIInChI=1S/C8H8BrN3O/c1-6-7(2-11-13-6)4-12-5-8(9)3-10-12/h2-3,5H,4H2,1H3
InChIKeyQQQQBGPQJKTNKU-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.99
Rot. Bonds2

About 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole

4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 130703277) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID130703277
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1oncc1Cn1cc(Br)cn1
InChIInChI=1S/C8H8BrN3O/c1-6-7(2-11-13-6)4-12-5-8(9)3-10-12/h2-3,5H,4H2,1H3
InChIKeyQQQQBGPQJKTNKU-UHFFFAOYSA-N
XLogP1.99
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole 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

2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-N-methylethanamine
CID 115464339
3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole
CID 61496925
N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464341
5-[(4-bromopyrazol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 61035409
N-[[2-[(4-bromopyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62441739
3-[(4-bromopyrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 55137788
2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine
CID 79260621
1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
CID 58409572
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole
CID 80610694
4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
CID 79362010
3-(4-bromopyrazol-1-yl)propylazanium
CID 7019325

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole (CID 130703277) is 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1oncc1Cn1cc(Br)cn1.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is QQQQBGPQJKTNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-6-7(2-11-13-6)4-12-5-8(9)3-10-12/h2-3,5H,4H2,1H3.
What are the key properties of 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 242.08 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 130703277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).