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

C19H20N2O4 — CID 663570

IUPAC2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H20N2O4/c1-4-25-13-6-7-14(16(22)10-13)19-15(11-20-21-19)12-5-8-17(23-2)18(9-12)24-3/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKeyOTFKDWIYZMRZMS-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.87
Rot. Bonds6

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

2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol (PubChem CID 663570) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
PubChem CID663570
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H20N2O4/c1-4-25-13-6-7-14(16(22)10-13)19-15(11-20-21-19)12-5-8-17(23-2)18(9-12)24-3/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKeyOTFKDWIYZMRZMS-UHFFFAOYSA-N
XLogP3.87
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651484
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 1414748
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135713335
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135610298
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651228
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135652165
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588
5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol (CID 663570) is 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol is CCOc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The InChIKey is OTFKDWIYZMRZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-25-13-6-7-14(16(22)10-13)19-15(11-20-21-19)12-5-8-17(23-2)18(9-12)24-3/h5-11,22H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol has a molecular weight of 340.38 g/mol, XLogP of 3.87, 6 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)-1H-pyrazol-5-yl]-5-ethoxyphenol is sourced from PubChem (CID 663570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).