3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol

C19H20N2O3 — CID 802199

IUPAC3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol
SMILESCOc1ccc(-c2c(-c3ccc(OC)c(C)c3O)n[nH]c2C)cc1
InChIInChI=1S/C19H20N2O3/c1-11-16(24-4)10-9-15(19(11)22)18-17(12(2)20-21-18)13-5-7-14(23-3)8-6-13/h5-10,22H,1-4H3,(H,20,21)
InChIKeyKDUQFKQFOXKDGD-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.08
Rot. Bonds4

About 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol

3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol (PubChem CID 802199) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol.

Molecular Properties

Compound Name3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol
PubChem CID802199
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol
SMILESCOc1ccc(-c2c(-c3ccc(OC)c(C)c3O)n[nH]c2C)cc1
InChIInChI=1S/C19H20N2O3/c1-11-16(24-4)10-9-15(19(11)22)18-17(12(2)20-21-18)13-5-7-14(23-3)8-6-13/h5-10,22H,1-4H3,(H,20,21)
InChIKeyKDUQFKQFOXKDGD-UHFFFAOYSA-N
XLogP4.08
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol?
The IUPAC name of 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol (CID 802199) is 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol.
What is the SMILES notation for 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol?
The canonical SMILES for 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol is COc1ccc(-c2c(-c3ccc(OC)c(C)c3O)n[nH]c2C)cc1.
What is the InChIKey of 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol?
The InChIKey is KDUQFKQFOXKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-16(24-4)10-9-15(19(11)22)18-17(12(2)20-21-18)13-5-7-14(23-3)8-6-13/h5-10,22H,1-4H3,(H,20,21).
What are the key properties of 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol?
3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol has a molecular weight of 324.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol is sourced from PubChem (CID 802199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).