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

C16H14N2O3 — CID 947289

IUPAC4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H14N2O3/c1-21-12-5-2-10(3-6-12)14-9-17-18-16(14)13-7-4-11(19)8-15(13)20/h2-9,19-20H,1H3,(H,17,18)
InChIKeyUQAAFGKMBIHHCS-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.16
Rot. Bonds3

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

4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 947289) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID947289
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H14N2O3/c1-21-12-5-2-10(3-6-12)14-9-17-18-16(14)13-7-4-11(19)8-15(13)20/h2-9,19-20H,1H3,(H,17,18)
InChIKeyUQAAFGKMBIHHCS-UHFFFAOYSA-N
XLogP3.16
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol (CID 947289) is 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol is COc1ccc(-c2cn[nH]c2-c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is UQAAFGKMBIHHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-12-5-2-10(3-6-12)14-9-17-18-16(14)13-7-4-11(19)8-15(13)20/h2-9,19-20H,1H3,(H,17,18).
What are the key properties of 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol?
4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 282.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 947289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).