2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol

C16H14N2O4 — CID 135995955

IUPAC2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCOc1cc(-c2cc(-c3c(O)cccc3O)[nH]n2)ccc1O
InChIInChI=1S/C16H14N2O4/c1-22-15-7-9(5-6-12(15)19)10-8-11(18-17-10)16-13(20)3-2-4-14(16)21/h2-8,19-21H,1H3,(H,17,18)
InChIKeyRNFXQPUQAXMIQJ-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.87
Rot. Bonds3

About 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol

2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 135995955) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID135995955
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCOc1cc(-c2cc(-c3c(O)cccc3O)[nH]n2)ccc1O
InChIInChI=1S/C16H14N2O4/c1-22-15-7-9(5-6-12(15)19)10-8-11(18-17-10)16-13(20)3-2-4-14(16)21/h2-8,19-21H,1H3,(H,17,18)
InChIKeyRNFXQPUQAXMIQJ-UHFFFAOYSA-N
XLogP2.87
TPSA98.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Cct-018159
CID 984170
3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 764764
XN-0502
CID 46183322
5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 874817
Hydrazinocurcumin
CID 135494223
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
5-methoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 947248
4-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 947289
6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 137348793
4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 666539
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 141477178

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol (CID 135995955) is 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol is COc1cc(-c2cc(-c3c(O)cccc3O)[nH]n2)ccc1O.
What is the InChIKey of 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is RNFXQPUQAXMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-15-7-9(5-6-12(15)19)10-8-11(18-17-10)16-13(20)3-2-4-14(16)21/h2-8,19-21H,1H3,(H,17,18).
What are the key properties of 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol?
2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 298.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 135995955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).