Name: Name:3-tert-Butyl-1-(4-nitrophenyl)-1h-pyrazol-5-amine
Brand: Angene
SKU: AG002QPH
Rating: 90 (10 reviews)

3-tert-Butyl-1-(4-nitrophenyl)-1h-pyrazol-5-amine

CAS No.:

251658-55-6

Catalog Number:

AG002QPH

Molecular Formula:

C13H16N4O2

Molecular Weight:

260.2917

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

≥ 99% (HPLC)

1 week

United States

$83

- +

98%

1 week

United States

$138

- +

25g

98%

1 week

United States

$453

- +

Product Description

Catalog Number:

AG002QPH

Chemical Name:

3-tert-Butyl-1-(4-nitrophenyl)-1h-pyrazol-5-amine

CAS Number:

251658-55-6

Molecular Formula:

C13H16N4O2

Molecular Weight:

260.2917

MDL Number:

MFCD04115074

IUPAC Name:

5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-amine

InChI:

InChI=1S/C13H16N4O2/c1-13(2,3)11-8-12(14)16(15-11)9-4-6-10(7-5-9)17(18)19/h4-8H,14H2,1-3H3

InChI Key:

WVQSWOBETMRYCD-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)n1nc(cc1N)C(C)(C)C

Properties

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.297g/mol

Monoisotopic Mass:

260.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
5-Amino-3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazole forms hydrogen-bonded sheets of alternating R2(2)(20) and R6(6)(32) rings.	Acta crystallographica. Section C, Crystal structure communications 20040301

Properties