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

C18H17FN2O2 — CID 23157546

IUPAC[4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol
SMILESCn1ncc(COc2ccc(CO)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c1-21-18(14-4-6-16(19)7-5-14)15(10-20-21)12-23-17-8-2-13(11-22)3-9-17/h2-10,22H,11-12H2,1H3
InChIKeyRPFCIBAUXCCWSF-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.30
Rot. Bonds5

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

[4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol (PubChem CID 23157546) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol
PubChem CID23157546
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name[4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol
SMILESCn1ncc(COc2ccc(CO)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c1-21-18(14-4-6-16(19)7-5-14)15(10-20-21)12-23-17-8-2-13(11-22)3-9-17/h2-10,22H,11-12H2,1H3
InChIKeyRPFCIBAUXCCWSF-UHFFFAOYSA-N
XLogP3.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol?
The IUPAC name of [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol (CID 23157546) is [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol?
The canonical SMILES for [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol is Cn1ncc(COc2ccc(CO)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol?
The InChIKey is RPFCIBAUXCCWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-21-18(14-4-6-16(19)7-5-14)15(10-20-21)12-23-17-8-2-13(11-22)3-9-17/h2-10,22H,11-12H2,1H3.
What are the key properties of [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol?
[4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol has a molecular weight of 312.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 23157546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).