Name: Name:ethyl 5-(adamantan-1-yl)-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG01A5KK
Rating: 90 (10 reviews)

ethyl 5-(adamantan-1-yl)-1H-pyrazole-3-carboxylate

CAS No.:

847955-97-9

Catalog Number:

AG01A5KK

Molecular Formula:

C16H22N2O2

Molecular Weight:

274.3581

Catalog Number:

AG01A5KK

Chemical Name:

ethyl 5-(adamantan-1-yl)-1H-pyrazole-3-carboxylate

CAS Number:

847955-97-9

Molecular Formula:

C16H22N2O2

Molecular Weight:

274.3581

MDL Number:

MFCD24842940

IUPAC Name:

ethyl 5-(1-adamantyl)-1H-pyrazole-3-carboxylate

InChI:

InChI=1S/C16H22N2O2/c1-2-20-15(19)13-6-14(18-17-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h6,10-12H,2-5,7-9H2,1H3,(H,17,18)

InChI Key:

SEXUEEFAAHZGSX-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1n[nH]c(c1)C12CC3CC(C2)CC(C1)C3

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.364g/mol

Monoisotopic Mass:

274.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7