2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol

C19H20N2O3 — CID 135610298

IUPAC2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2[nH]ncc2Oc2cc(C)cc(C)c2)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-4-23-14-5-6-16(17(22)10-14)19-18(11-20-21-19)24-15-8-12(2)7-13(3)9-15/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKeyKHLANSYRYIEFIG-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.59
Rot. Bonds5

About 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol

2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol (PubChem CID 135610298) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
PubChem CID135610298
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2[nH]ncc2Oc2cc(C)cc(C)c2)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-4-23-14-5-6-16(17(22)10-14)19-18(11-20-21-19)24-15-8-12(2)7-13(3)9-15/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKeyKHLANSYRYIEFIG-UHFFFAOYSA-N
XLogP4.59
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The IUPAC name of 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol (CID 135610298) is 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol is CCOc1ccc(-c2[nH]ncc2Oc2cc(C)cc(C)c2)c(O)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The InChIKey is KHLANSYRYIEFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-23-14-5-6-16(17(22)10-14)19-18(11-20-21-19)24-15-8-12(2)7-13(3)9-15/h5-11,22H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol?
2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol has a molecular weight of 324.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol is sourced from PubChem (CID 135610298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).