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

C19H20N2O3 — CID 50908374

IUPAC2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol
SMILESCOc1ccc(-c2cc(CO)n(CC(O)c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-14(8-10-17)18-11-16(13-22)21(20-18)12-19(23)15-5-3-2-4-6-15/h2-11,19,22-23H,12-13H2,1H3
InChIKeyWHPGIALIVMCVJW-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.78
Rot. Bonds6

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

2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol (PubChem CID 50908374) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol
PubChem CID50908374
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol
SMILESCOc1ccc(-c2cc(CO)n(CC(O)c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-14(8-10-17)18-11-16(13-22)21(20-18)12-19(23)15-5-3-2-4-6-15/h2-11,19,22-23H,12-13H2,1H3
InChIKeyWHPGIALIVMCVJW-UHFFFAOYSA-N
XLogP2.78
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol (CID 50908374) is 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol is COc1ccc(-c2cc(CO)n(CC(O)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol?
The InChIKey is WHPGIALIVMCVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-9-7-14(8-10-17)18-11-16(13-22)21(20-18)12-19(23)15-5-3-2-4-6-15/h2-11,19,22-23H,12-13H2,1H3.
What are the key properties of 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol?
2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol has a molecular weight of 324.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 50908374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).