1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole

C15H15FN4O — CID 174669908

IUPAC1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole
SMILESCOc1cn(-c2c(F)cccc2-c2nccn2C)nc1C
InChIInChI=1S/C15H15FN4O/c1-10-13(21-3)9-20(18-10)14-11(5-4-6-12(14)16)15-17-7-8-19(15)2/h4-9H,1-3H3
InChIKeyRGZFACZFQFUTNB-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole

1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole (PubChem CID 174669908) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole.

Molecular Properties

Compound Name1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole
PubChem CID174669908
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole
SMILESCOc1cn(-c2c(F)cccc2-c2nccn2C)nc1C
InChIInChI=1S/C15H15FN4O/c1-10-13(21-3)9-20(18-10)14-11(5-4-6-12(14)16)15-17-7-8-19(15)2/h4-9H,1-3H3
InChIKeyRGZFACZFQFUTNB-UHFFFAOYSA-N
XLogP2.73
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole?
The IUPAC name of 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole (CID 174669908) is 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole.
What is the SMILES notation for 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole?
The canonical SMILES for 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole is COc1cn(-c2c(F)cccc2-c2nccn2C)nc1C.
What is the InChIKey of 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole?
The InChIKey is RGZFACZFQFUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-10-13(21-3)9-20(18-10)14-11(5-4-6-12(14)16)15-17-7-8-19(15)2/h4-9H,1-3H3.
What are the key properties of 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole?
1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole has a molecular weight of 286.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-4-methoxy-3-methylpyrazole is sourced from PubChem (CID 174669908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).