4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole

C8H9BrN4 — CID 19621299

IUPAC4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1-c1[nH]ncc1Br
InChIInChI=1S/C8H9BrN4/c1-5-6(4-13(2)12-5)8-7(9)3-10-11-8/h3-4H,1-2H3,(H,10,11)
InChIKeyBHJVEWYVTSPEPT-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.88
Rot. Bonds1

About 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole

4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole (PubChem CID 19621299) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole
PubChem CID19621299
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1-c1[nH]ncc1Br
InChIInChI=1S/C8H9BrN4/c1-5-6(4-13(2)12-5)8-7(9)3-10-11-8/h3-4H,1-2H3,(H,10,11)
InChIKeyBHJVEWYVTSPEPT-UHFFFAOYSA-N
XLogP1.88
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole?
The IUPAC name of 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole (CID 19621299) is 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole is Cc1nn(C)cc1-c1[nH]ncc1Br.
What is the InChIKey of 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole?
The InChIKey is BHJVEWYVTSPEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-5-6(4-13(2)12-5)8-7(9)3-10-11-8/h3-4H,1-2H3,(H,10,11).
What are the key properties of 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole?
4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole has a molecular weight of 241.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1H-pyrazol-5-yl)-1,3-dimethylpyrazole is sourced from PubChem (CID 19621299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).