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

C17H16N2O4 — CID 666539

IUPAC4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCOc1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C17H16N2O4/c1-10-17(23-13-6-4-12(22-2)5-7-13)16(19-18-10)14-8-3-11(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
InChIKeyAZSKFDMVCSRCDG-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.60
Rot. Bonds4

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

4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 666539) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID666539
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCOc1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C17H16N2O4/c1-10-17(23-13-6-4-12(22-2)5-7-13)16(19-18-10)14-8-3-11(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
InChIKeyAZSKFDMVCSRCDG-UHFFFAOYSA-N
XLogP3.60
TPSA87.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol (CID 666539) is 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol is COc1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is AZSKFDMVCSRCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-17(23-13-6-4-12(22-2)5-7-13)16(19-18-10)14-8-3-11(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19).
What are the key properties of 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 312.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 666539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).