Cas no 1310085-00-7 (2-amino-4-(4-chloro-1H-pyrazol-1-yl)butanamide)

2-Amino-4-(4-chloro-1H-pyrazol-1-yl)butanamide is a specialized organic compound featuring a pyrazole moiety linked to a butanamide backbone. Its unique structure, combining a chloro-substituted pyrazole with an amino-butanamide group, makes it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of both reactive amino and amide functionalities allows for further derivatization, enabling the development of novel bioactive molecules. The chloro substituent enhances its utility in cross-coupling reactions, while the polar amide group improves solubility in various solvents. This compound is particularly useful in medicinal chemistry for designing enzyme inhibitors or receptor modulators due to its structural versatility and potential for targeted interactions.

2-amino-4-(4-chloro-1H-pyrazol-1-yl)butanamide structure

1310085-00-7 structure

Product Name:2-amino-4-(4-chloro-1H-pyrazol-1-yl)butanamide

CAS No:1310085-00-7

MF:C₇H₁₁ClN₄O

MW:202.641439676285

CID:5869087

PubChem ID:63040125

Update Time:2025-06-09

2-amino-4-(4-chloro-1H-pyrazol-1-yl)butanamide Chemical and Physical Properties

Names and Identifiers

- 1H-Pyrazole-1-butanamide, α-amino-4-chloro-
- 2-Amino-4-(4-chloro-1h-pyrazol-1-yl)butanamide
- 1310085-00-7
- AKOS012339573
- EN300-1123569
- CS-0292556
- 2-amino-4-(4-chloro-1H-pyrazol-1-yl)butanamide
- Inchi： 1S/C7H11ClN4O/c8-5-3-11-12(4-5)2-1-6(9)7(10)13/h3-4,6H,1-2,9H2,(H2,10,13)
- InChI Key： NSFLTVAKZLHLGX-UHFFFAOYSA-N
- SMILES： C(N1N=CC(Cl)=C1)CC(N)C(=O)N

Computed Properties

Exact Mass: 202.0621387g/mol
Monoisotopic Mass: 202.0621387g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 13
Rotatable Bond Count: 4
Complexity: 189
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -0.8
Topological Polar Surface Area: 86.9?2

Experimental Properties

Density: 1.53±0.1 g/cm3(Predicted)
Boiling Point: 424.5±45.0 °C(Predicted)
pka: 15.82±0.50(Predicted)

2-amino-4-(4-chloro-1H-pyrazol-1-yl)butanamide Pricemore >>

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Enamine	EN300-1123569-0.05g	2-amino-4-(4-chloro-1H-pyrazol-1-yl)butanamide	1310085-00-7	95%	0.05g	$888.0	2023-10-26
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