1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole

C11H10FIN2O — CID 102878282

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole
SMILESCOc1ccc(Cn2cc(I)cn2)c(F)c1
InChIInChI=1S/C11H10FIN2O/c1-16-10-3-2-8(11(12)4-10)6-15-7-9(13)5-14-15/h2-5,7H,6H2,1H3
InChIKeyCRBORNRJUSMMQM-UHFFFAOYSA-N
MW332.12 g/mol
LogP2.68
Rot. Bonds3

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole

1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole (PubChem CID 102878282) has the molecular formula C11H10FIN2O and a molecular weight of 332.12 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole
PubChem CID102878282
Molecular FormulaC11H10FIN2O
Molecular Weight332.12 g/mol
Exact Mass331.98
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole
SMILESCOc1ccc(Cn2cc(I)cn2)c(F)c1
InChIInChI=1S/C11H10FIN2O/c1-16-10-3-2-8(11(12)4-10)6-15-7-9(13)5-14-15/h2-5,7H,6H2,1H3
InChIKeyCRBORNRJUSMMQM-UHFFFAOYSA-N
XLogP2.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 102877159
4-(bromomethyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]triazole
CID 102878737
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]propan-1-amine
CID 106227853
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
CID 78997583
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837
1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole
CID 78997457
1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole
CID 65326515
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 102879879
N-[[4-fluoro-3-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107456580
CID 59418410
CID 59418410
1-[[2-chloro-4-(cyclopropylmethoxy)phenyl]methyl]-4-iodopyrazole
CID 118344311
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719299

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole (CID 102878282) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole is COc1ccc(Cn2cc(I)cn2)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole?
The InChIKey is CRBORNRJUSMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O/c1-16-10-3-2-8(11(12)4-10)6-15-7-9(13)5-14-15/h2-5,7H,6H2,1H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole?
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole has a molecular weight of 332.12 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole is sourced from PubChem (CID 102878282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).