1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole

C10H7ClFIN2 — CID 103042247

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole
SMILESFc1ccc(Cn2ccc(I)n2)cc1Cl
InChIInChI=1S/C10H7ClFIN2/c11-8-5-7(1-2-9(8)12)6-15-4-3-10(13)14-15/h1-5H,6H2
InChIKeyPACOXYDMVHCLCV-UHFFFAOYSA-N
MW336.54 g/mol
LogP3.33
Rot. Bonds2

About 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole

1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole (PubChem CID 103042247) has the molecular formula C10H7ClFIN2 and a molecular weight of 336.54 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole
PubChem CID103042247
Molecular FormulaC10H7ClFIN2
Molecular Weight336.54 g/mol
Exact Mass335.93
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole
SMILESFc1ccc(Cn2ccc(I)n2)cc1Cl
InChIInChI=1S/C10H7ClFIN2/c11-8-5-7(1-2-9(8)12)6-15-4-3-10(13)14-15/h1-5H,6H2
InChIKeyPACOXYDMVHCLCV-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.54
LogP ≤ 53.33
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

1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole
CID 82935303
1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 103038432
1-[(3-chloro-4-fluorophenyl)methyl]-3-(4-iodophenyl)-1,2,4-triazole
CID 103042259
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19399326
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 103041267
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942900
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 103040930
[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
CID 103038769

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole (CID 103042247) is 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole is Fc1ccc(Cn2ccc(I)n2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole?
The InChIKey is PACOXYDMVHCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFIN2/c11-8-5-7(1-2-9(8)12)6-15-4-3-10(13)14-15/h1-5H,6H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole?
1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole has a molecular weight of 336.54 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-3-iodopyrazole is sourced from PubChem (CID 103042247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).