2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol

C20H22N2O4 — CID 50905139

IUPAC2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(-c2cc(CO)n(CC(O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-17-7-3-14(4-8-17)19-11-16(13-23)22(21-19)12-20(24)15-5-9-18(26-2)10-6-15/h3-11,20,23-24H,12-13H2,1-2H3
InChIKeyOKIKTIZSCFCIIO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.79
Rot. Bonds7

About 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol

2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 50905139) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID50905139
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(-c2cc(CO)n(CC(O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-17-7-3-14(4-8-17)19-11-16(13-23)22(21-19)12-20(24)15-5-9-18(26-2)10-6-15/h3-11,20,23-24H,12-13H2,1-2H3
InChIKeyOKIKTIZSCFCIIO-UHFFFAOYSA-N
XLogP2.79
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol (CID 50905139) is 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc(-c2cc(CO)n(CC(O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is OKIKTIZSCFCIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-7-3-14(4-8-17)19-11-16(13-23)22(21-19)12-20(24)15-5-9-18(26-2)10-6-15/h3-11,20,23-24H,12-13H2,1-2H3.
What are the key properties of 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol?
2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 354.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 50905139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).