5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol

C23H20N2O3 — CID 1325225

IUPAC5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(-c3ccccc3)cc2)c(O)c1
InChIInChI=1S/C23H20N2O3/c1-15-23(22(25-24-15)20-13-12-19(27-2)14-21(20)26)28-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,26H,1-2H3,(H,24,25)
InChIKeyXJXWICFZCZDAAN-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.56
Rot. Bonds5

About 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol

5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol (PubChem CID 1325225) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol
PubChem CID1325225
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(-c3ccccc3)cc2)c(O)c1
InChIInChI=1S/C23H20N2O3/c1-15-23(22(25-24-15)20-13-12-19(27-2)14-21(20)26)28-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,26H,1-2H3,(H,24,25)
InChIKeyXJXWICFZCZDAAN-UHFFFAOYSA-N
XLogP5.56
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol (CID 1325225) is 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol is COc1ccc(-c2n[nH]c(C)c2Oc2ccc(-c3ccccc3)cc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol?
The InChIKey is XJXWICFZCZDAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-23(22(25-24-15)20-13-12-19(27-2)14-21(20)26)28-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,26H,1-2H3,(H,24,25).
What are the key properties of 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol?
5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol has a molecular weight of 372.42 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 1325225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).