Name: Name:tert-butyl 4-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carboxylate
Brand: Angene
SKU: AG01B63T
Rating: 90 (10 reviews)

tert-butyl 4-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carboxylate

CAS No.:

2044871-12-5

Catalog Number:

AG01B63T

Molecular Formula:

C16H25N3O3

Molecular Weight:

307.3880

Catalog Number:

AG01B63T

Chemical Name:

tert-butyl 4-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carboxylate

CAS Number:

2044871-12-5

Molecular Formula:

C16H25N3O3

Molecular Weight:

307.3880

MDL Number:

MFCD30486588

IUPAC Name:

tert-butyl 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidine-1-carboxylate

InChI:

InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-7-4-11(5-8-19)14-12-10-21-9-6-13(12)17-18-14/h11H,4-10H2,1-3H3,(H,17,18)

InChI Key:

CMQSVZQHMOJSHC-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)c1n[nH]c2c1COCC2)OC(C)(C)C

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.19g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

307.394g/mol

Monoisotopic Mass:

307.19g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4