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

C16H13FN2O2 — CID 781225

IUPAC2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2cc(-c3ccc(F)cc3)n[nH]2)c1
InChIInChI=1S/C16H13FN2O2/c1-21-12-6-7-16(20)13(8-12)15-9-14(18-19-15)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19)
InChIKeyGMUNLEHOPQJWRQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.60
Rot. Bonds3

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

2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol (PubChem CID 781225) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol
PubChem CID781225
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2cc(-c3ccc(F)cc3)n[nH]2)c1
InChIInChI=1S/C16H13FN2O2/c1-21-12-6-7-16(20)13(8-12)15-9-14(18-19-15)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19)
InChIKeyGMUNLEHOPQJWRQ-UHFFFAOYSA-N
XLogP3.60
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 764764
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 874817
5-methoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 947248
Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-5-methylphenol
CID 755039
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
2-(5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl)phenol
CID 846291

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol?
The IUPAC name of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol (CID 781225) is 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol is COc1ccc(O)c(-c2cc(-c3ccc(F)cc3)n[nH]2)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol?
The InChIKey is GMUNLEHOPQJWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-12-6-7-16(20)13(8-12)15-9-14(18-19-15)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19).
What are the key properties of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol?
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol has a molecular weight of 284.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methoxyphenol is sourced from PubChem (CID 781225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).