Cas no 359867-35-9 (5-amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one)

5-Amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one is a heterocyclic compound featuring a pyrazolone core with an amino substituent at the 5-position and a tert-butyl group at the 1-position. This structure imparts stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The tert-butyl group enhances steric hindrance, improving selectivity in reactions, while the amino group offers versatility for further functionalization. Its dihydropyrazolone scaffold is useful in constructing biologically active molecules, including potential kinase inhibitors or antimicrobial agents. The compound’s well-defined properties ensure consistent performance in synthetic applications, making it a reliable choice for research and industrial processes.

5-amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one structure

359867-35-9 structure

Product Name:5-amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one

CAS No:359867-35-9

MF:C₇H₁₃N₃O

MW:155.197621107101

MDL:MFCD14607822

CID:95240

PubChem ID:23497528

Update Time:2025-06-07

5-amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one Chemical and Physical Properties

Names and Identifiers

- 5-Amino-1-(tert-butyl)-1H-pyrazol-3-ol
- 3H-Pyrazol-3-one, 5-amino-1-(1,1-dimethylethyl)-1,2-dihydro- (9CI)
- 3-amino-2-tert-butyl-1H-pyrazol-5-one
- 5-AMINO-1-TERT-BUTYL-1H-PYRAZOL-3-OL
- 5-amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one
- 5-Amino-1-(tert-butyl)-1,2-dihydro-3H-pyrazol-3-one
- BROXQDABYJKKCG-UHFFFAOYSA-N
- NE61831
- AK139679
- 5-Amino-1-tert-butyl-1,2-dihydropyrazol-3-one
- MFCD14607822
- EN300-83282
- SCHEMBL6647361
- 359867-35-9
- DTXSID10634496
- A6254
- C74854
- Z1696861494
- AS-72036
- 5-Amino-1-tert-butyl-1,2-dihydro-3H-pyrazol-3-one
- AKOS026726842
- AKOS010514962
- CS-0098106
- DB-271741
- 3H-Pyrazol-3-one, 5-amino-1-(1,1-dimethylethyl)-1,2-dihydro-
- MDL： MFCD14607822
- Inchi： 1S/C7H13N3O/c1-7(2,3)10-5(8)4-6(11)9-10/h4H,8H2,1-3H3,(H,9,11)
- InChI Key： BROXQDABYJKKCG-UHFFFAOYSA-N
- SMILES： O=C1C=C(N)N(C(C)(C)C)N1

Computed Properties

Exact Mass: 155.10599
Monoisotopic Mass: 155.105862047g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 11
Rotatable Bond Count: 1
Complexity: 214
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.4
Topological Polar Surface Area: 58.4

Experimental Properties

Density: 1.129±0.06 g/cm3 (20 oC 760 Torr),
Solubility: Slightly soluble (19 g/l) (25 o C),
PSA: 58.36

5-amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one Security Information

Signal Word：Warning
Hazard Statement： H302-H312-H332
Warning Statement： P280
Storage Condition：Keep in dark place,Sealed in dry,2-8°C

5-amino-1-tert-butyl-2,3-dihydro-1H-pyrazol-3-one Pricemore >>

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