[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol

C11H11FN2O — CID 82048676

IUPAC[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol
SMILESCn1nc(CO)cc1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-14-11(6-10(7-15)13-14)8-2-4-9(12)5-3-8/h2-6,15H,7H2,1H3
InChIKeyXKZGXQGVLDJHLQ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.72
Rot. Bonds2

About [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol

[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol (PubChem CID 82048676) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol
PubChem CID82048676
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol
SMILESCn1nc(CO)cc1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-14-11(6-10(7-15)13-14)8-2-4-9(12)5-3-8/h2-6,15H,7H2,1H3
InChIKeyXKZGXQGVLDJHLQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol (CID 82048676) is [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol is Cn1nc(CO)cc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol?
The InChIKey is XKZGXQGVLDJHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-11(6-10(7-15)13-14)8-2-4-9(12)5-3-8/h2-6,15H,7H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol?
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol has a molecular weight of 206.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 82048676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).