4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol

C19H20N2O5 — CID 136801480

IUPAC4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3ccc(O)c(OC)c3)n(CCO)n2)ccc1O
InChIInChI=1S/C19H20N2O5/c1-25-18-9-12(3-5-16(18)23)14-11-15(21(20-14)7-8-22)13-4-6-17(24)19(10-13)26-2/h3-6,9-11,22-24H,7-8H2,1-2H3
InChIKeyCGBDKIAJYHVPTO-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.64
Rot. Bonds6

About 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol

4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol (PubChem CID 136801480) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol
PubChem CID136801480
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3ccc(O)c(OC)c3)n(CCO)n2)ccc1O
InChIInChI=1S/C19H20N2O5/c1-25-18-9-12(3-5-16(18)23)14-11-15(21(20-14)7-8-22)13-4-6-17(24)19(10-13)26-2/h3-6,9-11,22-24H,7-8H2,1-2H3
InChIKeyCGBDKIAJYHVPTO-UHFFFAOYSA-N
XLogP2.64
TPSA96.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol?
The IUPAC name of 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol (CID 136801480) is 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol is COc1cc(-c2cc(-c3ccc(O)c(OC)c3)n(CCO)n2)ccc1O.
What is the InChIKey of 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol?
The InChIKey is CGBDKIAJYHVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-18-9-12(3-5-16(18)23)14-11-15(21(20-14)7-8-22)13-4-6-17(24)19(10-13)26-2/h3-6,9-11,22-24H,7-8H2,1-2H3.
What are the key properties of 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol?
4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol has a molecular weight of 356.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazol-5-yl]-2-methoxyphenol is sourced from PubChem (CID 136801480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).