4-Ethyl-1H-pyrazole

CAT: 0127-OR1033844-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033844-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

17072-38-7

Purity

97%

Smiles

CCC1=CNN=C1

Chemical Information

4-Ethyl-1H-pyrazole

CAS Number	17072-38-7
PubChem CID	12933274
IUPAC Name	4-ethyl-1H-pyrazole
Molecular Formula	C5H8N2
Molecular Weight	96.13
XLogP	1.3
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	54

SMILES

CCC1=CNN=C1

InChI

InChI=1S/C5H8N2/c1-2-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)

InChIKey

IHNXHUNMFYXQCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17072-38-7

CID: 12933274

Formula: C5H8N2

MW: 96.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	96.13
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	96.068748264
Monoisotopic Mass	96.068748264
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	54
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

Catalog	Name
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OR76204-01	1-Ethyl-1H-pyrazole-4-carboxamide
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Catalog	Name
275647-01	4-Ethyl-1H-pyrazole
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FNB86896-01	1-Ethyl-1H-pyrazole-4-sulfonamide
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sc-322517	3-Ethyl-1H-pyrazole-4-carbaldehyde
sc-316068	4-Chloro-1-ethyl-1H-pyrazole
abx186675-01	4-Bromo-1-ethyl-1H-pyrazole
sc-258731	1-Ethyl-1H-pyrazole-4-carboxaldehyde
GQB47159-01	1-Ethyl-4-isothiocyanato-1H-pyrazole
TRC-B114260-50MG	4-(Bromomethyl)-1-ethyl-1H-pyrazole