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

C19H19ClN2O3 — CID 50905138

IUPAC2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cn2nc(-c3ccc(Cl)cc3)cc2CO)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-17-8-4-14(5-9-17)19(24)11-22-16(12-23)10-18(21-22)13-2-6-15(20)7-3-13/h2-10,19,23-24H,11-12H2,1H3
InChIKeyKNLCPKODLFLZFI-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.44
Rot. Bonds6

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

2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 50905138) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID50905138
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cn2nc(-c3ccc(Cl)cc3)cc2CO)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-17-8-4-14(5-9-17)19(24)11-22-16(12-23)10-18(21-22)13-2-6-15(20)7-3-13/h2-10,19,23-24H,11-12H2,1H3
InChIKeyKNLCPKODLFLZFI-UHFFFAOYSA-N
XLogP3.44
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol (CID 50905138) is 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)Cn2nc(-c3ccc(Cl)cc3)cc2CO)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is KNLCPKODLFLZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-25-17-8-4-14(5-9-17)19(24)11-22-16(12-23)10-18(21-22)13-2-6-15(20)7-3-13/h2-10,19,23-24H,11-12H2,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol?
2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 358.83 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 50905138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).