4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole

C8H9BrN2 — CID 153386309

IUPAC4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole
SMILESC=Cc1nn(C)cc1C(=C)Br
InChIInChI=1S/C8H9BrN2/c1-4-8-7(6(2)9)5-11(3)10-8/h4-5H,1-2H2,3H3
InChIKeyAFIIZLATVQJZGX-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.43
Rot. Bonds2

About 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole

4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole (PubChem CID 153386309) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole.

Molecular Properties

Compound Name4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole
PubChem CID153386309
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole
SMILESC=Cc1nn(C)cc1C(=C)Br
InChIInChI=1S/C8H9BrN2/c1-4-8-7(6(2)9)5-11(3)10-8/h4-5H,1-2H2,3H3
InChIKeyAFIIZLATVQJZGX-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis(ethenyl)-1-methylpyrazole;ethane
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4-tert-butyl-3-ethenyl-1-methylpyrazole
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3-formyl-1-methylpyrazole-4-carboxylic acid
CID 57445628
1-(3-ethyl-1-methylpyrazol-4-yl)but-3-en-1-one
CID 102811634
1-(1,3-dimethylpyrazol-4-yl)-3-methylbut-2-en-1-one
CID 102802822
1-methyl-3-(prop-2-enoxymethyl)pyrazole-4-carboxylic acid
CID 131539522
4-buta-1,3-dien-2-yl-2-methylindazole
CID 123545046
1-(3-ethyl-1-methylpyrazol-4-yl)-2-methylprop-2-en-1-one
CID 102811784
4-bromo-3-(bromomethyl)-1-methylpyrazole
CID 67979675
4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 90162148
4-iodo-1-methylpyrazole-3-carbaldehyde
CID 53302348
1-methyl-4-propylpyrazole-3-carbaldehyde
CID 105422580

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole?
The IUPAC name of 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole (CID 153386309) is 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole.
What is the SMILES notation for 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole?
The canonical SMILES for 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole is C=Cc1nn(C)cc1C(=C)Br.
What is the InChIKey of 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole?
The InChIKey is AFIIZLATVQJZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-4-8-7(6(2)9)5-11(3)10-8/h4-5H,1-2H2,3H3.
What are the key properties of 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole?
4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole has a molecular weight of 213.08 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethenyl)-3-ethenyl-1-methylpyrazole is sourced from PubChem (CID 153386309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).