Name: Name:3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01B95W
Rating: 90 (10 reviews)

3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1803611-22-4

Catalog Number:

AG01B95W

Molecular Formula:

C15H23N3O4

Molecular Weight:

309.3608

Catalog Number:

AG01B95W

Chemical Name:

3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1803611-22-4

Molecular Formula:

C15H23N3O4

Molecular Weight:

309.3608

MDL Number:

MFCD28348268

IUPAC Name:

1-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazole-4-carboxylic acid

InChI:

InChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)18-7-5-6-10(8-18)12-11(13(19)20)9-17(4)16-12/h9-10H,5-8H2,1-4H3,(H,19,20)

InChI Key:

FQZANOCLESEKCT-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC(C1)c1nn(cc1C(=O)O)C)OC(C)(C)C

Complexity:

435

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.366g/mol

Monoisotopic Mass:

309.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2