2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol

C19H20N2O4 — CID 664505

IUPAC2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H20N2O4/c1-11-18(12-5-8-16(24-3)17(9-12)25-4)19(21-20-11)14-7-6-13(23-2)10-15(14)22/h5-10,22H,1-4H3,(H,20,21)
InChIKeyIMSWAMZKQYCOHO-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.78
Rot. Bonds5

About 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol

2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol (PubChem CID 664505) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
PubChem CID664505
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H20N2O4/c1-11-18(12-5-8-16(24-3)17(9-12)25-4)19(21-20-11)14-7-6-13(23-2)10-15(14)22/h5-10,22H,1-4H3,(H,20,21)
InChIKeyIMSWAMZKQYCOHO-UHFFFAOYSA-N
XLogP3.78
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol (CID 664505) is 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol is COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol?
The InChIKey is IMSWAMZKQYCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11-18(12-5-8-16(24-3)17(9-12)25-4)19(21-20-11)14-7-6-13(23-2)10-15(14)22/h5-10,22H,1-4H3,(H,20,21).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol?
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol has a molecular weight of 340.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol is sourced from PubChem (CID 664505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).