1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole

C8H12FIN2 — CID 81110651

IUPAC1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole
SMILESCc1nn(CCCF)c(C)c1I
InChIInChI=1S/C8H12FIN2/c1-6-8(10)7(2)12(11-6)5-3-4-9/h3-5H2,1-2H3
InChIKeyXJZHOKDKUWFTMP-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.46
Rot. Bonds3

About 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole

1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole (PubChem CID 81110651) has the molecular formula C8H12FIN2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole
PubChem CID81110651
Molecular FormulaC8H12FIN2
Molecular Weight282.10 g/mol
Exact Mass282.00
IUPAC Name1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole
SMILESCc1nn(CCCF)c(C)c1I
InChIInChI=1S/C8H12FIN2/c1-6-8(10)7(2)12(11-6)5-3-4-9/h3-5H2,1-2H3
InChIKeyXJZHOKDKUWFTMP-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole?
The IUPAC name of 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole (CID 81110651) is 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole is Cc1nn(CCCF)c(C)c1I.
What is the InChIKey of 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole?
The InChIKey is XJZHOKDKUWFTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FIN2/c1-6-8(10)7(2)12(11-6)5-3-4-9/h3-5H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole?
1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole has a molecular weight of 282.10 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-iodo-3,5-dimethylpyrazole is sourced from PubChem (CID 81110651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).