4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole

C19H23FN4O — CID 70733969

IUPAC4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
SMILESCOc1ccc(F)cc1-c1nccn1Cc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C19H23FN4O/c1-12(2)24-14(4)17(13(3)22-24)11-23-9-8-21-19(23)16-10-15(20)6-7-18(16)25-5/h6-10,12H,11H2,1-5H3
InChIKeyAAQFCUMEICULJV-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.14
Rot. Bonds5

About 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole

4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole (PubChem CID 70733969) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
PubChem CID70733969
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
SMILESCOc1ccc(F)cc1-c1nccn1Cc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C19H23FN4O/c1-12(2)24-14(4)17(13(3)22-24)11-23-9-8-21-19(23)16-10-15(20)6-7-18(16)25-5/h6-10,12H,11H2,1-5H3
InChIKeyAAQFCUMEICULJV-UHFFFAOYSA-N
XLogP4.14
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole (CID 70733969) is 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole is COc1ccc(F)cc1-c1nccn1Cc1c(C)nn(C(C)C)c1C.
What is the InChIKey of 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole?
The InChIKey is AAQFCUMEICULJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-12(2)24-14(4)17(13(3)22-24)11-23-9-8-21-19(23)16-10-15(20)6-7-18(16)25-5/h6-10,12H,11H2,1-5H3.
What are the key properties of 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole?
4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole has a molecular weight of 342.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 70733969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).