3-(4-bromophenyl)-5-methyl-1H-pyrazole

C10H9BrN2 — CID 1487504

IUPAC3-(4-bromophenyl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C10H9BrN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyWANDSSMDLLHHCJ-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.15
Rot. Bonds1

About 3-(4-bromophenyl)-5-methyl-1H-pyrazole

3-(4-bromophenyl)-5-methyl-1H-pyrazole (PubChem CID 1487504) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-methyl-1H-pyrazole
PubChem CID1487504
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name3-(4-bromophenyl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C10H9BrN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyWANDSSMDLLHHCJ-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-bromophenyl)-5-methyl-1H-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

ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 144864305
[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 82468594
N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62112031
5-methyl-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 116856590
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-4-methylphenol
CID 916137
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-5-methylphenol
CID 2848299
3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine
CID 141365269
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
CID 121230197
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
methyl 4-(5-methyl-1H-pyrazol-3-yl)benzoate
CID 21023715
6-(4-bromophenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 1399450

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(4-bromophenyl)-5-methyl-1H-pyrazole (CID 1487504) is 3-(4-bromophenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(4-bromophenyl)-5-methyl-1H-pyrazole is Cc1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 3-(4-bromophenyl)-5-methyl-1H-pyrazole?
The InChIKey is WANDSSMDLLHHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13).
What are the key properties of 3-(4-bromophenyl)-5-methyl-1H-pyrazole?
3-(4-bromophenyl)-5-methyl-1H-pyrazole has a molecular weight of 237.10 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 1487504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).