2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol

C18H18N2O2 — CID 50908372

IUPAC2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol
SMILESOCc1cc(-c2ccccc2)nn1CC(O)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-13-16-11-17(14-7-3-1-4-8-14)19-20(16)12-18(22)15-9-5-2-6-10-15/h1-11,18,21-22H,12-13H2
InChIKeyCGNCDZPKFPZQPT-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.78
Rot. Bonds5

About 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol

2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol (PubChem CID 50908372) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol
PubChem CID50908372
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol
SMILESOCc1cc(-c2ccccc2)nn1CC(O)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-13-16-11-17(14-7-3-1-4-8-14)19-20(16)12-18(22)15-9-5-2-6-10-15/h1-11,18,21-22H,12-13H2
InChIKeyCGNCDZPKFPZQPT-UHFFFAOYSA-N
XLogP2.78
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol (CID 50908372) is 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol is OCc1cc(-c2ccccc2)nn1CC(O)c1ccccc1.
What is the InChIKey of 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol?
The InChIKey is CGNCDZPKFPZQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-13-16-11-17(14-7-3-1-4-8-14)19-20(16)12-18(22)15-9-5-2-6-10-15/h1-11,18,21-22H,12-13H2.
What are the key properties of 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol?
2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol has a molecular weight of 294.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 50908372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).