[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol

C17H15FN2O2 — CID 1476560

IUPAC[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Oc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c1-20-17(22-14-9-7-13(18)8-10-14)15(11-21)16(19-20)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3
InChIKeyIDOBEROHAJSXNH-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.51
Rot. Bonds4

About [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol

[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol (PubChem CID 1476560) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol
PubChem CID1476560
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Oc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c1-20-17(22-14-9-7-13(18)8-10-14)15(11-21)16(19-20)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3
InChIKeyIDOBEROHAJSXNH-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol?
The IUPAC name of [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol (CID 1476560) is [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol is Cn1nc(-c2ccccc2)c(CO)c1Oc1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol?
The InChIKey is IDOBEROHAJSXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20-17(22-14-9-7-13(18)8-10-14)15(11-21)16(19-20)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3.
What are the key properties of [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol?
[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol has a molecular weight of 298.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 1476560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).