4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole

C8H9BrN4 — CID 19616673

IUPAC4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
SMILESCCn1cc(-c2[nH]ncc2Br)cn1
InChIInChI=1S/C8H9BrN4/c1-2-13-5-6(3-11-13)8-7(9)4-10-12-8/h3-5H,2H2,1H3,(H,10,12)
InChIKeyXLJWJFWTVOPWPM-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.06
Rot. Bonds2

About 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole

4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole (PubChem CID 19616673) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
PubChem CID19616673
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
SMILESCCn1cc(-c2[nH]ncc2Br)cn1
InChIInChI=1S/C8H9BrN4/c1-2-13-5-6(3-11-13)8-7(9)4-10-12-8/h3-5H,2H2,1H3,(H,10,12)
InChIKeyXLJWJFWTVOPWPM-UHFFFAOYSA-N
XLogP2.06
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147386
1'-Ethyl-3'-methyl-1'H,2H-3,4'-bipyrazole
CID 7017815
4-(4-bromo-1H-pyrazol-3-yl)-1-methyl-1H-pyrazole
CID 16640641
[3-(1-methyl-1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methanamine
CID 106759032
1-methyl-3-(1H-pyrazol-4-yl)-1H-pyrazole dihydrochloride
CID 137942437
4-(4-Bromo-1H-pyrazol-3-YL)-1,3-dimethyl-1H-pyrazole
CID 19621299
1-methyl-3-(1H-pyrazol-4-yl)-1H-pyrazole
CID 136656584
4-Bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole
CID 166491061
1',5'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147384
3-methyl-4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 121508024
3-(5-bromo-1-methyl-1H-pyrazol-4-yl)-4-fluoro-1H-pyrazol-5-amine
CID 165499466
1-methyl-4-(1H-pyrazol-4-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 165635404

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole (CID 19616673) is 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole is CCn1cc(-c2[nH]ncc2Br)cn1.
What is the InChIKey of 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole?
The InChIKey is XLJWJFWTVOPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-2-13-5-6(3-11-13)8-7(9)4-10-12-8/h3-5H,2H2,1H3,(H,10,12).
What are the key properties of 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole?
4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole has a molecular weight of 241.09 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(1-ethylpyrazol-4-yl)-1H-pyrazole is sourced from PubChem (CID 19616673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).