2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol

C19H16FN3O — CID 70983357

IUPAC2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol
SMILESNc1c(C#Cc2ccccc2)c(-c2cccc(F)c2)nn1CCO
InChIInChI=1S/C19H16FN3O/c20-16-8-4-7-15(13-16)18-17(19(21)23(22-18)11-12-24)10-9-14-5-2-1-3-6-14/h1-8,13,24H,11-12,21H2
InChIKeyPBEUYQITTMTRHK-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.66
Rot. Bonds3

About 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol (PubChem CID 70983357) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol
PubChem CID70983357
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol
SMILESNc1c(C#Cc2ccccc2)c(-c2cccc(F)c2)nn1CCO
InChIInChI=1S/C19H16FN3O/c20-16-8-4-7-15(13-16)18-17(19(21)23(22-18)11-12-24)10-9-14-5-2-1-3-6-14/h1-8,13,24H,11-12,21H2
InChIKeyPBEUYQITTMTRHK-UHFFFAOYSA-N
XLogP2.66
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol (CID 70983357) is 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol is Nc1c(C#Cc2ccccc2)c(-c2cccc(F)c2)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol?
The InChIKey is PBEUYQITTMTRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-16-8-4-7-15(13-16)18-17(19(21)23(22-18)11-12-24)10-9-14-5-2-1-3-6-14/h1-8,13,24H,11-12,21H2.
What are the key properties of 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol has a molecular weight of 321.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(3-fluorophenyl)-4-(2-phenylethynyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 70983357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).