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

C16H15FN2O2 — CID 2936761

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

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

2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol (PubChem CID 2936761) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol
PubChem CID2936761
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol
SMILESCOc1ccc(C2=NNC(c3ccccc3F)C2)c(O)c1
InChIInChI=1S/C16H15FN2O2/c1-21-10-6-7-12(16(20)8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-8,14,18,20H,9H2,1H3
InChIKeyRTDJHOYAMZBQOC-UHFFFAOYSA-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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Related Compounds

2-Methoxy-5-(3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1h-pyrazol-5-yl) phenol
CID 23661691
1-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 136244614
2-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136244615
2-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136254385
1-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 136254470
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 11164203
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 49865894
4-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136226201
4-[5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136226202
4-[3-(4-Fluorophenyl)-2-methyl-3,4-dihydropyrazol-5-yl]benzene-1,3-diol
CID 136233017
2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135520001
5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 12671425

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol?
The IUPAC name of 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol (CID 2936761) is 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol?
The canonical SMILES for 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol is COc1ccc(C2=NNC(c3ccccc3F)C2)c(O)c1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol?
The InChIKey is RTDJHOYAMZBQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-10-6-7-12(16(20)8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-8,14,18,20H,9H2,1H3.
What are the key properties of 2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol?
2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-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-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol is sourced from PubChem (CID 2936761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).