Name: Name:5-Benzyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester
Brand: Angene
SKU: AG01D8PQ
Rating: 90 (10 reviews)

5-Benzyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester

CAS No.:

912635-60-0

Catalog Number:

AG01D8PQ

Molecular Formula:

C15H17N3O2

Molecular Weight:

271.3144

Catalog Number:

AG01D8PQ

Chemical Name:

5-Benzyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester

CAS Number:

912635-60-0

Molecular Formula:

C15H17N3O2

Molecular Weight:

271.3144

MDL Number:

MFCD23099263

IUPAC Name:

ethyl 5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate

InChI:

InChI=1S/C15H17N3O2/c1-2-20-15(19)14-12-9-18(10-13(12)16-17-14)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)

InChI Key:

MJFGNVPJJNQWKK-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1n[nH]c2c1CN(C2)Cc1ccccc1

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.32g/mol

Monoisotopic Mass:

271.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7