4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole

C15H15BrN4 — CID 91341127

IUPAC4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole
SMILESCc1cc(-c2ccccc2)n(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C15H15BrN4/c1-10-9-14(13-7-5-4-6-8-13)20(17-10)19-12(3)15(16)11(2)18-19/h4-9H,1-3H3
InChIKeyXWGLLMCDGPXZMI-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.75
Rot. Bonds2

About 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole

4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole (PubChem CID 91341127) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole
PubChem CID91341127
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole
SMILESCc1cc(-c2ccccc2)n(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C15H15BrN4/c1-10-9-14(13-7-5-4-6-8-13)20(17-10)19-12(3)15(16)11(2)18-19/h4-9H,1-3H3
InChIKeyXWGLLMCDGPXZMI-UHFFFAOYSA-N
XLogP3.75
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole?
The IUPAC name of 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole (CID 91341127) is 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole.
What is the SMILES notation for 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole?
The canonical SMILES for 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole is Cc1cc(-c2ccccc2)n(-n2nc(C)c(Br)c2C)n1.
What is the InChIKey of 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole?
The InChIKey is XWGLLMCDGPXZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-10-9-14(13-7-5-4-6-8-13)20(17-10)19-12(3)15(16)11(2)18-19/h4-9H,1-3H3.
What are the key properties of 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole?
4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole has a molecular weight of 331.22 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-1-(3-methyl-5-phenylpyrazol-1-yl)pyrazole is sourced from PubChem (CID 91341127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).