[1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol

C15H15FN4O — CID 67167656

IUPAC[1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2c(F)cccc2-c2nccn2C)cc1CO
InChIInChI=1S/C15H15FN4O/c1-10-11(9-21)8-20(18-10)14-12(4-3-5-13(14)16)15-17-6-7-19(15)2/h3-8,21H,9H2,1-2H3
InChIKeyLLTNWNDGIRFQJG-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.21
Rot. Bonds3

About [1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol

[1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol (PubChem CID 67167656) 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]-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol
PubChem CID67167656
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name[1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2c(F)cccc2-c2nccn2C)cc1CO
InChIInChI=1S/C15H15FN4O/c1-10-11(9-21)8-20(18-10)14-12(4-3-5-13(14)16)15-17-6-7-19(15)2/h3-8,21H,9H2,1-2H3
InChIKeyLLTNWNDGIRFQJG-UHFFFAOYSA-N
XLogP2.21
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
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]-3-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol (CID 67167656) is [1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol is Cc1nn(-c2c(F)cccc2-c2nccn2C)cc1CO.
What is the InChIKey of [1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol?
The InChIKey is LLTNWNDGIRFQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-10-11(9-21)8-20(18-10)14-12(4-3-5-13(14)16)15-17-6-7-19(15)2/h3-8,21H,9H2,1-2H3.
What are the key properties of [1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol?
[1-[2-fluoro-6-(1-methylimidazol-2-yl)phenyl]-3-methylpyrazol-4-yl]methanol has a molecular weight of 286.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 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]-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 67167656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).