4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole

C11H14Br2N4 — CID 15862196

IUPAC4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cn2nc(C)c(Br)c2C)c(C)c1Br
InChIInChI=1S/C11H14Br2N4/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5H2,1-4H3
InChIKeyLMFXQSMWZQNBJO-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.34
Rot. Bonds2

About 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole

4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole (PubChem CID 15862196) has the molecular formula C11H14Br2N4 and a molecular weight of 362.07 g/mol. Its IUPAC name is 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
PubChem CID15862196
Molecular FormulaC11H14Br2N4
Molecular Weight362.07 g/mol
Exact Mass359.96
IUPAC Name4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cn2nc(C)c(Br)c2C)c(C)c1Br
InChIInChI=1S/C11H14Br2N4/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5H2,1-4H3
InChIKeyLMFXQSMWZQNBJO-UHFFFAOYSA-N
XLogP3.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole (CID 15862196) is 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole is Cc1nn(Cn2nc(C)c(Br)c2C)c(C)c1Br.
What is the InChIKey of 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The InChIKey is LMFXQSMWZQNBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N4/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5H2,1-4H3.
What are the key properties of 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole has a molecular weight of 362.07 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 15862196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).