1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole

C12H11ClFIN2 — CID 103051638

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
SMILESCc1nn(Cc2cc(Cl)ccc2F)c(C)c1I
InChIInChI=1S/C12H11ClFIN2/c1-7-12(15)8(2)17(16-7)6-9-5-10(13)3-4-11(9)14/h3-5H,6H2,1-2H3
InChIKeyUFCIRAIEHQGIGG-UHFFFAOYSA-N
MW364.59 g/mol
LogP3.95
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole

1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole (PubChem CID 103051638) has the molecular formula C12H11ClFIN2 and a molecular weight of 364.59 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
PubChem CID103051638
Molecular FormulaC12H11ClFIN2
Molecular Weight364.59 g/mol
Exact Mass363.96
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
SMILESCc1nn(Cc2cc(Cl)ccc2F)c(C)c1I
InChIInChI=1S/C12H11ClFIN2/c1-7-12(15)8(2)17(16-7)6-9-5-10(13)3-4-11(9)14/h3-5H,6H2,1-2H3
InChIKeyUFCIRAIEHQGIGG-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 53.95
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-[(5-chloro-2-fluorophenyl)methyl]-4-(1-chloropropyl)-3,5-dimethylpyrazole
CID 103049913
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
1-[(3,5-difluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 105411276
4-bromo-1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128749
4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole
CID 65318538
[1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647471
1-[(4-bromophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784286
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647581
5-chloro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 62101913
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 114851493
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050327
2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65315793

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole (CID 103051638) is 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole is Cc1nn(Cc2cc(Cl)ccc2F)c(C)c1I.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole?
The InChIKey is UFCIRAIEHQGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFIN2/c1-7-12(15)8(2)17(16-7)6-9-5-10(13)3-4-11(9)14/h3-5H,6H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole?
1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole has a molecular weight of 364.59 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole is sourced from PubChem (CID 103051638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).