4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole

C10H8BrN3O3 — CID 63677500

IUPAC4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole
SMILESCOc1cc(-n2cc(Br)cn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H8BrN3O3/c1-17-10-4-8(2-3-9(10)14(15)16)13-6-7(11)5-12-13/h2-6H,1H3
InChIKeyGSXZQDWTOPIQBG-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.55
Rot. Bonds3

About 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole

4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole (PubChem CID 63677500) has the molecular formula C10H8BrN3O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole
PubChem CID63677500
Molecular FormulaC10H8BrN3O3
Molecular Weight298.10 g/mol
Exact Mass296.97
IUPAC Name4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole
SMILESCOc1cc(-n2cc(Br)cn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H8BrN3O3/c1-17-10-4-8(2-3-9(10)14(15)16)13-6-7(11)5-12-13/h2-6H,1H3
InChIKeyGSXZQDWTOPIQBG-UHFFFAOYSA-N
XLogP2.55
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole 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-(4-nitro-3-propan-2-yloxyphenyl)pyrazole
CID 83012468
1-(3-methoxy-4-nitrophenyl)-1,2,4-triazole
CID 58748366
4,5-dibromo-2-(3-methoxy-4-nitrophenyl)triazole
CID 154676900
1-(3-methoxy-4-nitrophenyl)-2,5-dihydropyrrole
CID 175593834
1-(3-methoxy-4-nitrophenyl)-N,N-dimethylazetidin-3-amine
CID 178015607
1-(3-methoxy-4-nitrophenyl)-2-methylimidazole
CID 11424789
1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
CID 65249752
4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole
CID 154676943
(1S)-1-[4-(4-bromopyrazol-1-yl)-3-nitrophenyl]ethanol
CID 55185224
1-(3-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 166609008
4-(4-bromopyrazol-1-yl)-3-nitrobenzaldehyde
CID 54909745
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole?
The IUPAC name of 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole (CID 63677500) is 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole?
The canonical SMILES for 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole is COc1cc(-n2cc(Br)cn2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole?
The InChIKey is GSXZQDWTOPIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3/c1-17-10-4-8(2-3-9(10)14(15)16)13-6-7(11)5-12-13/h2-6H,1H3.
What are the key properties of 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole?
4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole has a molecular weight of 298.10 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole is sourced from PubChem (CID 63677500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).