3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole

C12H10Br2N2 — CID 114692400

IUPAC3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole
SMILESBrc1cc(Br)n(C/C=C/c2ccccc2)n1
InChIInChI=1S/C12H10Br2N2/c13-11-9-12(14)16(15-11)8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+
InChIKeyQZPJXBFIYFXQMU-QPJJXVBHSA-N
MW342.03 g/mol
LogP4.12
Rot. Bonds3

About 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole

3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole (PubChem CID 114692400) has the molecular formula C12H10Br2N2 and a molecular weight of 342.03 g/mol. Its IUPAC name is 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole
PubChem CID114692400
Molecular FormulaC12H10Br2N2
Molecular Weight342.03 g/mol
Exact Mass339.92
IUPAC Name3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole
SMILESBrc1cc(Br)n(C/C=C/c2ccccc2)n1
InChIInChI=1S/C12H10Br2N2/c13-11-9-12(14)16(15-11)8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+
InChIKeyQZPJXBFIYFXQMU-QPJJXVBHSA-N
XLogP4.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[(E)-3-phenylprop-2-enyl]pyrazole-3-carboxylic acid
CID 82293348
3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole
CID 52878167
3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole
CID 114692670
[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol
CID 43647302
4-phenyl-1-(3-phenylprop-2-enyl)imidazole
CID 57289864
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
2-[3,5-dimethyl-1-(3-phenylprop-2-enyl)pyrazol-4-yl]acetic acid
CID 61294436
1-(azepan-1-yl)-7-bromo-3-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22609421
5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione
CID 69166659
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[(E)-3-phenylprop-2-enyl]-6-thiophen-2-ylpyridazin-3-one
CID 51044961

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole?
The IUPAC name of 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole (CID 114692400) is 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole.
What is the SMILES notation for 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole?
The canonical SMILES for 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole is Brc1cc(Br)n(C/C=C/c2ccccc2)n1.
What is the InChIKey of 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole?
The InChIKey is QZPJXBFIYFXQMU-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H10Br2N2/c13-11-9-12(14)16(15-11)8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+.
What are the key properties of 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole?
3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole has a molecular weight of 342.03 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole is sourced from PubChem (CID 114692400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).