Name: Name:5-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01EKEO
Rating: 90 (10 reviews)

5-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1698549-81-3

Catalog Number:

AG01EKEO

Molecular Formula:

C15H24N4O4

Molecular Weight:

324.3755

Catalog Number:

AG01EKEO

Chemical Name:

5-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)-1-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1698549-81-3

Molecular Formula:

C15H24N4O4

Molecular Weight:

324.3755

MDL Number:

MFCD31629371

IUPAC Name:

1-methyl-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]pyrazole-4-carboxylic acid

InChI:

InChI=1S/C15H24N4O4/c1-15(2,3)23-14(22)19-7-5-18(6-8-19)10-12-11(13(20)21)9-16-17(12)4/h9H,5-8,10H2,1-4H3,(H,20,21)

InChI Key:

MBEAJWHCJZLBBM-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)Cc1n(C)ncc1C(=O)O)OC(C)(C)C

Complexity:

443

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

324.18g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

324.381g/mol

Monoisotopic Mass:

324.18g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2