2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol

C16H15FN2O2 — CID 942316

IUPAC2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C2=NN[C@@H](c3ccccc3F)C2)c1
InChIInChI=1S/C16H15FN2O2/c1-21-10-6-7-16(20)12(8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-8,14,18,20H,9H2,1H3/t14-/m1/s1
InChIKeyFTNCYYBOELDHNQ-CQSZACIVSA-N
MW286.31 g/mol
LogP2.98
Rot. Bonds3

About 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol

2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol (PubChem CID 942316) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
PubChem CID942316
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C2=NN[C@@H](c3ccccc3F)C2)c1
InChIInChI=1S/C16H15FN2O2/c1-21-10-6-7-16(20)12(8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-8,14,18,20H,9H2,1H3/t14-/m1/s1
InChIKeyFTNCYYBOELDHNQ-CQSZACIVSA-N
XLogP2.98
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol?
The IUPAC name of 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol (CID 942316) is 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol.
What is the SMILES notation for 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol?
The canonical SMILES for 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol is COc1ccc(O)c(C2=NN[C@@H](c3ccccc3F)C2)c1.
What is the InChIKey of 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol?
The InChIKey is FTNCYYBOELDHNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-10-6-7-16(20)12(8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-8,14,18,20H,9H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol?
2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol has a molecular weight of 286.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol is sourced from PubChem (CID 942316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).