Pyrazole

CAT: 0013-GTR19217284-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19217284-01Size:100 mg

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Description

1H-Pyrazole is a versatile building block with a vast applications in organic synthesis. The derivatives of Pyrazole are used in medicine for their analgesic anti-inflammatory antipyretic antiarrhythmic tranquilizing muscle relaxing psychoanaleptic anticonvulsant monoamineoxidase inhibiting antidiabetic and antibacterial activities.

CAS Number

288-13-1

Product Name Alternative

12-Diazole | 1H-Pyrazole

Purity

>98% (HPLC)

Solubility

DMSO:10 mM

Smiles

C1cn[nH]c1

Molecular Formula

C3H4N2

Molecular Weight

68.08

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

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 Number	288-13-1
PubChem CID	1048
IUPAC Name	1H-pyrazole
Molecular Formula	C3H4N2
Molecular Weight	68.08
XLogP	0.3
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	28

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

CAS: 288-13-1

CID: 1048

Formula: C3H4N2

MW: 68.08

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	68.08
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	68.037448136
Monoisotopic Mass	68.037448136
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	28.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-255450A	Pyrazole
C3089-5	Methylpiperidino pyrazole
C6728-500	1H-pyrazole
C3823-1	Phthalazinone pyrazole
CS-B-00345	Pyrazole 10
RG-P241802-01	Pyrazole Ether

Pyrazole

Chemical Information

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