1H-Pyrazol-4-amine, 1-(1-methylethyl)-


Chemical Name: 1H-Pyrazol-4-amine, 1-(1-methylethyl)-
CAS Number: 97421-16-4
Product Number: AG00IJXW(AGN-PC-00MP15)
Synonyms:
MDL No:
Molecular Formula: C6H11N3
Molecular Weight: 125.1716

Identification/Properties


Computed Properties
Molecular Weight:
125.175g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
125.095g/mol
Monoisotopic Mass:
125.095g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
92.3
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Isopropyl-1H-pyrazol-4-amine is a versatile compound commonly used in chemical synthesis as a building block in various reactions. This compound exhibits unique reactivity due to its pyrazole ring structure and the presence of an isopropyl group, allowing for multiple synthetic pathways to be explored. Its application in organic synthesis includes the formation of substituted pyrazoles, which are important compounds in pharmaceutical and agrochemical industries. Additionally, 1-Isopropyl-1H-pyrazol-4-amine can participate in cyclization reactions to form heterocyclic compounds with diverse properties, making it a valuable intermediate in the synthesis of bioactive molecules.