1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine

C11H11BrClN3 — CID 102943093

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(Br)c(-n2nc(N)cc2C)cc1Cl
InChIInChI=1S/C11H11BrClN3/c1-6-3-8(12)10(5-9(6)13)16-7(2)4-11(14)15-16/h3-5H,1-2H3,(H2,14,15)
InChIKeySTFROPICAZNOIZ-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.49
Rot. Bonds1

About 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine

1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine (PubChem CID 102943093) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine
PubChem CID102943093
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(Br)c(-n2nc(N)cc2C)cc1Cl
InChIInChI=1S/C11H11BrClN3/c1-6-3-8(12)10(5-9(6)13)16-7(2)4-11(14)15-16/h3-5H,1-2H3,(H2,14,15)
InChIKeySTFROPICAZNOIZ-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
1-[1-(2-bromo-5-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 104725037
1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942628
3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
CID 104725658
1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 104724409
1-(2-bromo-5-chloro-4-methylphenyl)-5-tert-butyl-1,2,4-triazole-3-carboxylic acid
CID 104725026
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine
CID 102942299
2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane
CID 104724350
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 104724612
3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 104724625
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 113445682
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine (CID 102943093) is 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine is Cc1cc(Br)c(-n2nc(N)cc2C)cc1Cl.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine?
The InChIKey is STFROPICAZNOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-6-3-8(12)10(5-9(6)13)16-7(2)4-11(14)15-16/h3-5H,1-2H3,(H2,14,15).
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine?
1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine has a molecular weight of 300.59 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 102943093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).