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1H-pyrazole

CAT: 0013-GTR19168344-02Size: 5 gDry Ice: NoHazardous: No
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Description
1H-Pyrazole is a versatile heterocyclic scaffold widely employed in organic synthesis. Its derivatives are extensively researched in medicinal chemistry for their diverse pharmacological profiles, including anti-inflammatory, antibacterial, and antidiabetic activities, as demonstrated in both in vitro and in vivo studies.
CAS Number
288-13-1
Product Name Alternative
Pyrazole, 1H pyrazole, 1Hpyrazole, 1H-pyrazole, 1,2-Diazole, EndogenousMetabolite, Endogenous Metabolite
Field of Research
Metabolism Research
Purity
95.59% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (29.38 mM) ; DMSO:50 mg/mL (734.43 mM)
Smiles
N1C=CC=N1
Molecular Formula
C3H4N2
Molecular Weight
68.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyrazole

1H-pyrazole is the 1H-tautomer of pyrazole. It is a conjugate base of a pyrazolium. It is a conjugate acid of a pyrazol-1-ide. It is a tautomer of a 3H-pyrazole and a 4H-pyrazole.

CAS Number288-13-1
PubChem CID1048
IUPAC Name1H-pyrazole
Molecular FormulaC3H4N2
Molecular Weight68.08
XLogP0.3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity28
SMILES
C1=CNN=C1
InChI
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKey
WTKZEGDFNFYCGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrazole
CAS: 288-13-1
CID: 1048
Formula: C3H4N2
MW: 68.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight68.08
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass68.037448136
Monoisotopic Mass68.037448136
Topological Polar Surface Area28.7 Ų
Heavy Atom Count5
Formal Charge0
Complexity28.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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