3-iodo-1,5-dimethylpyrazole

C5H7IN2 — CID 66509451

IUPAC3-iodo-1,5-dimethylpyrazole
SMILESCc1cc(I)nn1C
InChIInChI=1S/C5H7IN2/c1-4-3-5(6)7-8(4)2/h3H,1-2H3
InChIKeyHTGYBABURKWGBS-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.33
Rot. Bonds

About 3-iodo-1,5-dimethylpyrazole

3-iodo-1,5-dimethylpyrazole (PubChem CID 66509451) has the molecular formula C5H7IN2 and a molecular weight of 222.03 g/mol. Its IUPAC name is 3-iodo-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-iodo-1,5-dimethylpyrazole
PubChem CID66509451
Molecular FormulaC5H7IN2
Molecular Weight222.03 g/mol
Exact Mass221.97
IUPAC Name3-iodo-1,5-dimethylpyrazole
SMILESCc1cc(I)nn1C
InChIInChI=1S/C5H7IN2/c1-4-3-5(6)7-8(4)2/h3H,1-2H3
InChIKeyHTGYBABURKWGBS-UHFFFAOYSA-N
XLogP1.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.33
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

1H-Pyrazole, 1,3-dimethyl-
CID 79096
1,3,5-Trimethylpyrazole
CID 14081
1,5-Dimethylpyrazole
CID 136502
5-Bromo-1,3-dimethyl-1H-pyrazole
CID 21724031
5-Chloro-1,3-dimethylpyrazole
CID 521507
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
3-Bromo-1,5-dimethyl-1H-pyrazole
CID 21724046
3-Chloro-1,5-dimethyl-1H-pyrazole
CID 17835480
1H-Pyrazole, 5-fluoro-1,3-dimethyl-
CID 66974728
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
1,3-Dimethylpyrazole-5-boronic acid
CID 11252054

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,5-dimethylpyrazole?
The IUPAC name of 3-iodo-1,5-dimethylpyrazole (CID 66509451) is 3-iodo-1,5-dimethylpyrazole.
What is the SMILES notation for 3-iodo-1,5-dimethylpyrazole?
The canonical SMILES for 3-iodo-1,5-dimethylpyrazole is Cc1cc(I)nn1C.
What is the InChIKey of 3-iodo-1,5-dimethylpyrazole?
The InChIKey is HTGYBABURKWGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2/c1-4-3-5(6)7-8(4)2/h3H,1-2H3.
What are the key properties of 3-iodo-1,5-dimethylpyrazole?
3-iodo-1,5-dimethylpyrazole has a molecular weight of 222.03 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,5-dimethylpyrazole is sourced from PubChem (CID 66509451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).