1-(3-fluoropropyl)-4-iodopyrazole

C6H8FIN2 — CID 79020404

IUPAC1-(3-fluoropropyl)-4-iodopyrazole
SMILESFCCCn1cc(I)cn1
InChIInChI=1S/C6H8FIN2/c7-2-1-3-10-5-6(8)4-9-10/h4-5H,1-3H2
InChIKeyLZPSGVWMXKWNMP-UHFFFAOYSA-N
MW254.05 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-fluoropropyl)-4-iodopyrazole

1-(3-fluoropropyl)-4-iodopyrazole (PubChem CID 79020404) has the molecular formula C6H8FIN2 and a molecular weight of 254.05 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-iodopyrazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-iodopyrazole
PubChem CID79020404
Molecular FormulaC6H8FIN2
Molecular Weight254.05 g/mol
Exact Mass253.97
IUPAC Name1-(3-fluoropropyl)-4-iodopyrazole
SMILESFCCCn1cc(I)cn1
InChIInChI=1S/C6H8FIN2/c7-2-1-3-10-5-6(8)4-9-10/h4-5H,1-3H2
InChIKeyLZPSGVWMXKWNMP-UHFFFAOYSA-N
XLogP1.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 51.85
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

1-(fluoromethyl)-4-iodopyrazole
CID 170247528
1-(3-fluoropropyl)pyrazol-4-ol
CID 116799422
1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole
CID 81110244
5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine
CID 65255899
1-[3-(4-iodopyrazol-1-yl)propyl]piperidine
CID 156792777
1-(3-fluoropropyl)pyrazole-4-sulfonyl chloride
CID 81113658
6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanenitrile
CID 106710266
4-iodo-1-pent-3-ynylpyrazole
CID 104743944
1-(2-ethylsulfanylethyl)-4-iodopyrazole
CID 115646959
4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
CID 126421662
N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide
CID 106711719
tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane
CID 164547420

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-iodopyrazole?
The IUPAC name of 1-(3-fluoropropyl)-4-iodopyrazole (CID 79020404) is 1-(3-fluoropropyl)-4-iodopyrazole.
What is the SMILES notation for 1-(3-fluoropropyl)-4-iodopyrazole?
The canonical SMILES for 1-(3-fluoropropyl)-4-iodopyrazole is FCCCn1cc(I)cn1.
What is the InChIKey of 1-(3-fluoropropyl)-4-iodopyrazole?
The InChIKey is LZPSGVWMXKWNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FIN2/c7-2-1-3-10-5-6(8)4-9-10/h4-5H,1-3H2.
What are the key properties of 1-(3-fluoropropyl)-4-iodopyrazole?
1-(3-fluoropropyl)-4-iodopyrazole has a molecular weight of 254.05 g/mol, XLogP of 1.85, 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-iodopyrazole is sourced from PubChem (CID 79020404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).