1-Phenyl-1H-pyrazol-3(2H)-one

Name: 1-Phenyl-1H-pyrazol-3(2H)-one
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CAS No. 1008-79-3
Cat. No. CS-0069824
Molecule weight160.17
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Phenyl-1H-pyrazol-3(2H)-one|CS-0069824

Structure of 1008-79-3

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General Information

CAS No. 1008-79-3
Cat. No. CS-0069824
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈N₂O
Molecular Weight 160.17
Synonym(s) 1-chlorophenyl-1H-pyrazol-3-ol
SMILES O=C1NN(C2=CC=CC=C2)C=C1

Description

1-Phenyl-1H-pyrazol-3(2H)-one features a fused pyrazolone core with a phenyl substituent at the 1-position, delivering enhanced electron density and stability. This scaffold integrates readily into bioactive molecules, serving as a key building block for pharmaceutical intermediates and functional materials.

Application

1-Phenyl-1H-pyrazol-3(2H)-one serves as a versatile scaffold in medicinal chemistry, enabling efficient access to bioactive heterocycles through standard functionalization at the pyrazolone ring. Its bench-stable nature and tolerance to diverse reaction conditions facilitate downstream derivatization, including C–H arylation and nucleophilic substitution. The compound functions as a key building block for pharmacologically relevant scaffolds and exhibits predictable reactivity in standard coupling protocols.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 37.79
LogP 1.1656
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Phenyl-1H-pyrazol-3(2H)-one

CAS No. 1008-79-3

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