Name: Name:3H-Pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-
Brand: Angene
SKU: AG0031DW
Rating: 90 (10 reviews)

3H-Pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-

CAS No.:

30818-17-8

Catalog Number:

AG0031DW

Molecular Formula:

C13H14N4O3

Molecular Weight:

274.2753

Catalog Number:

AG0031DW

Chemical Name:

3H-Pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-

CAS Number:

30818-17-8

Molecular Formula:

C13H14N4O3

Molecular Weight:

274.2753

MDL Number:

MFCD00142557

IUPAC Name:

2-(4-nitrophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-one

InChI:

InChI=1S/C13H14N4O3/c18-13-9-12(15-7-1-2-8-15)14-16(13)10-3-5-11(6-4-10)17(19)20/h3-6H,1-2,7-9H2

InChI Key:

GMXRVALYFNKUTQ-UHFFFAOYSA-N

SMILES:

O=C1CC(=NN1c1ccc(cc1)[N+](=O)[O-])N1CCCC1

EC Number:

250-347-9

Complexity:

431

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.28g/mol

Monoisotopic Mass:

274.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3