3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole

C10H7BrClFN2 — CID 66613577

IUPAC3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole
SMILESCn1nc(Br)cc1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H7BrClFN2/c1-15-9(5-10(11)14-15)7-3-2-6(13)4-8(7)12/h2-5H,1H3
InChIKeyDHJZUDQPQDUTOC-UHFFFAOYSA-N
MW289.54 g/mol
LogP3.64
Rot. Bonds1

About 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole

3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole (PubChem CID 66613577) has the molecular formula C10H7BrClFN2 and a molecular weight of 289.54 g/mol. Its IUPAC name is 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole
PubChem CID66613577
Molecular FormulaC10H7BrClFN2
Molecular Weight289.54 g/mol
Exact Mass287.95
IUPAC Name3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole
SMILESCn1nc(Br)cc1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H7BrClFN2/c1-15-9(5-10(11)14-15)7-3-2-6(13)4-8(7)12/h2-5H,1H3
InChIKeyDHJZUDQPQDUTOC-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-(2-chloro-4-fluorophenyl)-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

1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
4-(2-chloro-6-fluorobenzyl)-1,3,5-trimethyl-1H-pyrazole
CID 2804835
3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 11000843
3-(4-Chlorophenyl)-1-methyl-5-phenylpyrazole
CID 12121020
5-(3-Chlorophenyl)-1-methyl-3-phenylpyrazole
CID 12425523
5-(4-Fluorophenyl)-1,3-dimethyl-1H-pyrazole
CID 11206282
3-Chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole
CID 66880358
5-chloro-3-(4-chlorophenyl)-1-methyl-1H-pyrazole
CID 11206916
5-Chloro-1-methyl-3-phenyl-1H-pyrazole
CID 12665792
5-chloro-3-phenyl-1-(propan-2-yl)-1H-pyrazole
CID 66023040
1-Benzyl-3-trifluoromethyl-5-chloropyrazole
CID 66022794
1-Benzyl-5-bromo-3-trifluoromethylpyrazole
CID 129739347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole?
The IUPAC name of 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole (CID 66613577) is 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole?
The canonical SMILES for 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole is Cn1nc(Br)cc1-c1ccc(F)cc1Cl.
What is the InChIKey of 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole?
The InChIKey is DHJZUDQPQDUTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2/c1-15-9(5-10(11)14-15)7-3-2-6(13)4-8(7)12/h2-5H,1H3.
What are the key properties of 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole?
3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole has a molecular weight of 289.54 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chloro-4-fluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 66613577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).