5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole

C10H8BrClN2 — CID 82379095

IUPAC5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole
SMILESCc1c(-c2ccc(Cl)cc2)n[nH]c1Br
InChIInChI=1S/C10H8BrClN2/c1-6-9(13-14-10(6)11)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyGTDRZCNTUDFPMX-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.80
Rot. Bonds1

About 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole

5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole (PubChem CID 82379095) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole
PubChem CID82379095
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole
SMILESCc1c(-c2ccc(Cl)cc2)n[nH]c1Br
InChIInChI=1S/C10H8BrClN2/c1-6-9(13-14-10(6)11)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyGTDRZCNTUDFPMX-UHFFFAOYSA-N
XLogP3.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole
CID 82379093
3-bromo-4-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
CID 123904924
3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one
CID 14666394
2-bromo-4-(4-chlorophenyl)-5-methyl-1H-imidazole
CID 83664346
4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
CID 83912637
4-(4-chlorophenyl)-2H-phthalazine-1-thione
CID 4738180
4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
CID 83746918
3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
CID 19587640
5-(chloromethyl)-3-(4-chlorophenyl)-1,4-dimethylpyrazole
CID 69280234
4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 56762534
2-(4-chlorophenyl)-3-methylpyrazine
CID 90168238
5-tert-butyl-3-(4-chlorophenyl)-1,4-dimethylpyrazole
CID 58157361

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole?
The IUPAC name of 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole (CID 82379095) is 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole?
The canonical SMILES for 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole is Cc1c(-c2ccc(Cl)cc2)n[nH]c1Br.
What is the InChIKey of 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole?
The InChIKey is GTDRZCNTUDFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-6-9(13-14-10(6)11)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,13,14).
What are the key properties of 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole?
5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole has a molecular weight of 271.55 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 82379095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).