2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol

C17H15FN2O3 — CID 662650

IUPAC2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol
SMILESCOc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1OC
InChIInChI=1S/C17H15FN2O3/c1-22-16-6-3-10(7-17(16)23-2)13-9-14(20-19-13)12-8-11(18)4-5-15(12)21/h3-9,21H,1-2H3,(H,19,20)
InChIKeyZSHCFIVVHFVOHS-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.61
Rot. Bonds4

About 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol

2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol (PubChem CID 662650) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol
PubChem CID662650
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol
SMILESCOc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1OC
InChIInChI=1S/C17H15FN2O3/c1-22-16-6-3-10(7-17(16)23-2)13-9-14(20-19-13)12-8-11(18)4-5-15(12)21/h3-9,21H,1-2H3,(H,19,20)
InChIKeyZSHCFIVVHFVOHS-UHFFFAOYSA-N
XLogP3.61
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cct-018159
CID 984170
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
Hydrazinocurcumin
CID 135494223
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
4-(6,7-Dimethoxy-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl)phenol
CID 135566732
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol (CID 662650) is 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol is COc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol?
The InChIKey is ZSHCFIVVHFVOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-22-16-6-3-10(7-17(16)23-2)13-9-14(20-19-13)12-8-11(18)4-5-15(12)21/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol?
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol has a molecular weight of 314.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-4-fluorophenol is sourced from PubChem (CID 662650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).