1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole

C12H12FIN2 — CID 81110244

IUPAC1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole
SMILESFCCCn1cc(-c2cccc(I)c2)cn1
InChIInChI=1S/C12H12FIN2/c13-5-2-6-16-9-11(8-15-16)10-3-1-4-12(14)7-10/h1,3-4,7-9H,2,5-6H2
InChIKeySEXPMYPGBSNNFW-UHFFFAOYSA-N
MW330.14 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole

1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole (PubChem CID 81110244) has the molecular formula C12H12FIN2 and a molecular weight of 330.14 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole
PubChem CID81110244
Molecular FormulaC12H12FIN2
Molecular Weight330.14 g/mol
Exact Mass330.00
IUPAC Name1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole
SMILESFCCCn1cc(-c2cccc(I)c2)cn1
InChIInChI=1S/C12H12FIN2/c13-5-2-6-16-9-11(8-15-16)10-3-1-4-12(14)7-10/h1,3-4,7-9H,2,5-6H2
InChIKeySEXPMYPGBSNNFW-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 53.51
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-(3-iodophenyl)-1-(2-phenylethyl)pyrazole
CID 79787501
1-(2,2-difluoroethyl)-4-(3-iodophenyl)pyrazole
CID 79787921
4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole
CID 103019466
1-(3-fluoropropyl)-4-iodopyrazole
CID 79020404
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
1-[(3-chlorophenyl)methyl]-4-(3-iodophenyl)pyrazole
CID 79787414
5-[[4-(3-iodophenyl)pyrazol-1-yl]methyl]-2-methyltetrazole
CID 107058840
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
3-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]propan-1-amine
CID 164608356
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
CID 107703748

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole?
The IUPAC name of 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole (CID 81110244) is 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole.
What is the SMILES notation for 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole?
The canonical SMILES for 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole is FCCCn1cc(-c2cccc(I)c2)cn1.
What is the InChIKey of 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole?
The InChIKey is SEXPMYPGBSNNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FIN2/c13-5-2-6-16-9-11(8-15-16)10-3-1-4-12(14)7-10/h1,3-4,7-9H,2,5-6H2.
What are the key properties of 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole?
1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole has a molecular weight of 330.14 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-(3-iodophenyl)pyrazole is sourced from PubChem (CID 81110244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).