[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol

C17H15FN2O — CID 166351915

IUPAC[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccc(-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C17H15FN2O/c18-17-7-5-16(6-8-17)15-3-1-13(2-4-15)10-20-11-14(12-21)9-19-20/h1-9,11,21H,10,12H2
InChIKeyAJMIROLBCAQAQV-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.23
Rot. Bonds4

About [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol

[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol (PubChem CID 166351915) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol
PubChem CID166351915
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccc(-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C17H15FN2O/c18-17-7-5-16(6-8-17)15-3-1-13(2-4-15)10-20-11-14(12-21)9-19-20/h1-9,11,21H,10,12H2
InChIKeyAJMIROLBCAQAQV-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol (CID 166351915) is [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol is OCc1cnn(Cc2ccc(-c3ccc(F)cc3)cc2)c1.
What is the InChIKey of [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol?
The InChIKey is AJMIROLBCAQAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-17-7-5-16(6-8-17)15-3-1-13(2-4-15)10-20-11-14(12-21)9-19-20/h1-9,11,21H,10,12H2.
What are the key properties of [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol?
[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol has a molecular weight of 282.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 166351915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).