4-ethenyl-1-iodo-3,5-dimethylpyrazole

C7H9IN2 — CID 134295358

IUPAC4-ethenyl-1-iodo-3,5-dimethylpyrazole
SMILESC=Cc1c(C)nn(I)c1C
InChIInChI=1S/C7H9IN2/c1-4-7-5(2)9-10(8)6(7)3/h4H,1H2,2-3H3
InChIKeyGQLKXCBCRFTYDV-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.34
Rot. Bonds1

About 4-ethenyl-1-iodo-3,5-dimethylpyrazole

4-ethenyl-1-iodo-3,5-dimethylpyrazole (PubChem CID 134295358) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 4-ethenyl-1-iodo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-ethenyl-1-iodo-3,5-dimethylpyrazole
PubChem CID134295358
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name4-ethenyl-1-iodo-3,5-dimethylpyrazole
SMILESC=Cc1c(C)nn(I)c1C
InChIInChI=1S/C7H9IN2/c1-4-7-5(2)9-10(8)6(7)3/h4H,1H2,2-3H3
InChIKeyGQLKXCBCRFTYDV-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-3,5-dimethyl-1H-pyrazole
CID 22152548
3,4,5-Trimethyl-1H-pyrazol-1-amine
CID 12674537
1-Fluoro-3,4,5-trimethylpyrazole
CID 143436393
4-ethenyl-3-(1-fluoroethenyl)-5-methyl-1H-pyrazole
CID 145680413
[5-ethenyl-3-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazol-1-yl] thiohypofluorite
CID 166718799
Silver 3,4,5-trimethylpyrazol-1-ide
CID 13287272
Sodium 3,4,5-trimethylpyrazol-1-ide
CID 134910320
3,4,5-Trimethylpyrazol-1-ide
CID 18717298
4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole
CID 54499166
Rhodium;3,4,5-trimethylpyrazol-1-ide
CID 57586079
Carbanide;3,4,5-trimethylpyrazol-1-ide;yttrium
CID 58651164
4-ethenyl-5-methyl-3-[(E)-prop-1-enyl]-1H-pyrazole
CID 66580522

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-iodo-3,5-dimethylpyrazole?
The IUPAC name of 4-ethenyl-1-iodo-3,5-dimethylpyrazole (CID 134295358) is 4-ethenyl-1-iodo-3,5-dimethylpyrazole.
What is the SMILES notation for 4-ethenyl-1-iodo-3,5-dimethylpyrazole?
The canonical SMILES for 4-ethenyl-1-iodo-3,5-dimethylpyrazole is C=Cc1c(C)nn(I)c1C.
What is the InChIKey of 4-ethenyl-1-iodo-3,5-dimethylpyrazole?
The InChIKey is GQLKXCBCRFTYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c1-4-7-5(2)9-10(8)6(7)3/h4H,1H2,2-3H3.
What are the key properties of 4-ethenyl-1-iodo-3,5-dimethylpyrazole?
4-ethenyl-1-iodo-3,5-dimethylpyrazole has a molecular weight of 248.07 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-iodo-3,5-dimethylpyrazole is sourced from PubChem (CID 134295358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).