1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole

C12H11BrN2 — CID 79322595

IUPAC1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole
SMILESBrCC=Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H11BrN2/c13-8-1-3-11-4-6-12(7-5-11)15-10-2-9-14-15/h1-7,9-10H,8H2
InChIKeyYEVAIHDXXUXZNX-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.28
Rot. Bonds3

About 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole

1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole (PubChem CID 79322595) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole
PubChem CID79322595
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole
SMILESBrCC=Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H11BrN2/c13-8-1-3-11-4-6-12(7-5-11)15-10-2-9-14-15/h1-7,9-10H,8H2
InChIKeyYEVAIHDXXUXZNX-UHFFFAOYSA-N
XLogP3.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1-(4-ethenylphenyl)pyrazole
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1-[4-(2-nitroethenyl)phenyl]pyrazole
CID 76913032
1-(4-bromophenyl)pyrazole
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9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
CID 169470287
1-(4-prop-2-enylphenyl)pyrazole
CID 90761128
4-bromo-N-[(E)-(4-pyrazol-1-ylphenyl)methylideneamino]aniline
CID 155805956
1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
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3-bromo-1-(4-pyrazol-1-ylphenyl)propane-1,2-diol
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N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine
CID 79340172

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole?
The IUPAC name of 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole (CID 79322595) is 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole?
The canonical SMILES for 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole is BrCC=Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole?
The InChIKey is YEVAIHDXXUXZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-8-1-3-11-4-6-12(7-5-11)15-10-2-9-14-15/h1-7,9-10H,8H2.
What are the key properties of 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole?
1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole has a molecular weight of 263.14 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole is sourced from PubChem (CID 79322595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).