Name: Name:3H-Pyrazol-3-one, 5-amino-1-(1,1-dimethylethyl)-1,2-dihydro- (9CI)
Brand: Angene
SKU: AG00CKTT
Rating: 90 (10 reviews)

3H-Pyrazol-3-one, 5-amino-1-(1,1-dimethylethyl)-1,2-dihydro- (9CI)

CAS No.:

359867-35-9

Catalog Number:

AG00CKTT

Molecular Formula:

C7H13N3O

Molecular Weight:

155.1976

Catalog Number:

AG00CKTT

Chemical Name:

3H-Pyrazol-3-one, 5-amino-1-(1,1-dimethylethyl)-1,2-dihydro- (9CI)

CAS Number:

359867-35-9

Molecular Formula:

C7H13N3O

Molecular Weight:

155.1976

MDL Number:

MFCD14607822

IUPAC Name:

3-amino-2-tert-butyl-1H-pyrazol-5-one

InChI:

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:

CC(n1nc(cc1N)O)(C)C

Complexity:

214

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

155.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

155.201g/mol

Monoisotopic Mass:

155.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4