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

C18H17ClN2O2 — CID 50908373

IUPAC2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol
SMILESOCc1cc(-c2ccc(Cl)cc2)nn1CC(O)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-15-8-6-13(7-9-15)17-10-16(12-22)21(20-17)11-18(23)14-4-2-1-3-5-14/h1-10,18,22-23H,11-12H2
InChIKeyYTAVQUWVBMPMDS-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.43
Rot. Bonds5

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

2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol (PubChem CID 50908373) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol
PubChem CID50908373
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol
SMILESOCc1cc(-c2ccc(Cl)cc2)nn1CC(O)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-15-8-6-13(7-9-15)17-10-16(12-22)21(20-17)11-18(23)14-4-2-1-3-5-14/h1-10,18,22-23H,11-12H2
InChIKeyYTAVQUWVBMPMDS-UHFFFAOYSA-N
XLogP3.43
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol (CID 50908373) is 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol is OCc1cc(-c2ccc(Cl)cc2)nn1CC(O)c1ccccc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol?
The InChIKey is YTAVQUWVBMPMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-8-6-13(7-9-15)17-10-16(12-22)21(20-17)11-18(23)14-4-2-1-3-5-14/h1-10,18,22-23H,11-12H2.
What are the key properties of 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol?
2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol has a molecular weight of 328.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 50908373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).