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

C17H16N2O3 — CID 846291

IUPAC2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1OC
InChIInChI=1S/C17H16N2O3/c1-21-16-8-7-11(9-17(16)22-2)13-10-14(19-18-13)12-5-3-4-6-15(12)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyOTKNUZGIYOGZFI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.47
Rot. Bonds4

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

2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 846291) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID846291
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1OC
InChIInChI=1S/C17H16N2O3/c1-21-16-8-7-11(9-17(16)22-2)13-10-14(19-18-13)12-5-3-4-6-15(12)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyOTKNUZGIYOGZFI-UHFFFAOYSA-N
XLogP3.47
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.47
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
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 680670
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
4-[(6,7-Dimethoxy-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl)ethynyl]-2-Methoxyphenol
CID 44443175
4-(6,7-Dimethoxy-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl)phenol
CID 135566732
4''-(6,7-Dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol
CID 136118055
3-(4''-Hydroxy-biphenyl-4-yl)-7-methoxy-2,4-dihydro-indeno[1,2-c]pyrazol-6-ol
CID 136118077

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol (CID 846291) is 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is OTKNUZGIYOGZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-16-8-7-11(9-17(16)22-2)13-10-14(19-18-13)12-5-3-4-6-15(12)20/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 296.33 g/mol, XLogP of 3.47, 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]phenol is sourced from PubChem (CID 846291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).