5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol

C17H16N2O3 — CID 945537

IUPAC5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H16N2O3/c1-21-12-5-3-11(4-6-12)15-10-18-19-17(15)14-8-7-13(22-2)9-16(14)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyHSFFXTIWNUXDGF-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.47
Rot. Bonds4

About 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol

5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 945537) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID945537
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H16N2O3/c1-21-12-5-3-11(4-6-12)15-10-18-19-17(15)14-8-7-13(22-2)9-16(14)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyHSFFXTIWNUXDGF-UHFFFAOYSA-N
XLogP3.47
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol (CID 945537) is 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2cn[nH]c2-c2ccc(OC)cc2O)cc1.
What is the InChIKey of 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is HSFFXTIWNUXDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-12-5-3-11(4-6-12)15-10-18-19-17(15)14-8-7-13(22-2)9-16(14)20/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 296.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 945537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).