Name: Name:1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG0001IV
Rating: 90 (10 reviews)

1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester

CAS No.:

1003011-02-6

Catalog Number:

AG0001IV

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

Catalog Number:

AG0001IV

Chemical Name:

1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester

CAS Number:

1003011-02-6

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

MDL Number:

MFCD20702903

IUPAC Name:

tert-butyl 5-aminopyrazole-1-carboxylate

InChI:

InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-6(9)4-5-10-11/h4-5H,9H2,1-3H3

InChI Key:

QYQBAJXCDXDNJU-UHFFFAOYSA-N

SMILES:

O=C(n1nccc1N)OC(C)(C)C

Complexity:

200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.211g/mol

Monoisotopic Mass:

183.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7