5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol

C19H20N2O3 — CID 663544

IUPAC5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-4-24-13-9-10-14(16(22)11-13)19-18(12(2)20-21-19)15-7-5-6-8-17(15)23-3/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKeyHNBSTAVYEBXTIE-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.17
Rot. Bonds5

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

5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol (PubChem CID 663544) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
PubChem CID663544
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-4-24-13-9-10-14(16(22)11-13)19-18(12(2)20-21-19)15-7-5-6-8-17(15)23-3/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKeyHNBSTAVYEBXTIE-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol (CID 663544) is 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol is CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The InChIKey is HNBSTAVYEBXTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-24-13-9-10-14(16(22)11-13)19-18(12(2)20-21-19)15-7-5-6-8-17(15)23-3/h5-11,22H,4H2,1-3H3,(H,20,21).
What are the key properties of 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol has a molecular weight of 324.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 663544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).