3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole

C12H12BrFN2 — CID 134862148

IUPAC3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole
SMILESCC(F)c1cc(-c2ccc(Br)cc2)nn1C
InChIInChI=1S/C12H12BrFN2/c1-8(14)12-7-11(15-16(12)2)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyAGUFKUDZVJAWBQ-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.88
Rot. Bonds2

About 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole

3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole (PubChem CID 134862148) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole
PubChem CID134862148
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole
SMILESCC(F)c1cc(-c2ccc(Br)cc2)nn1C
InChIInChI=1S/C12H12BrFN2/c1-8(14)12-7-11(15-16(12)2)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyAGUFKUDZVJAWBQ-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole 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

Difenzoquat
CID 39425
(4-Bromophenyl)-(1-methyl-3,5-diphenylpyrazol-4-yl)diazene
CID 168268869
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
1,5-Dimethyl-3-phenylpyrazole
CID 139119
1-Benzyl-3,5-dimethyl-1H-pyrazole
CID 603765
3-Bromo-1-methyl-1H-indazole
CID 22419368
6-Bromo-3-iodo-1-methyl-1H-indazole
CID 76846143
1H-Pyrazole, 5-(4-bromophenyl)-1,3-diphenyl-
CID 11372268
1-Methyl-3,5-diphenylpyrazole
CID 140517
4-(4-Fluorophenyl)-1,3,5-trimethylpyrazole
CID 102184445
3-(4-Bromophenyl)-1-methyl-1H-pyrazol-5-amine
CID 5337859
3-(4-Bromophenyl)-1-methyl-1H-pyrazole
CID 2819635

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole?
The IUPAC name of 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole (CID 134862148) is 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole is CC(F)c1cc(-c2ccc(Br)cc2)nn1C.
What is the InChIKey of 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole?
The InChIKey is AGUFKUDZVJAWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-8(14)12-7-11(15-16(12)2)9-3-5-10(13)6-4-9/h3-8H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole?
3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole has a molecular weight of 283.14 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(1-fluoroethyl)-1-methylpyrazole is sourced from PubChem (CID 134862148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).