Name: Name:3-(4-hydroxy-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
Brand: Angene
SKU: AG01CAB5
Rating: 90 (10 reviews)

3-(4-hydroxy-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile

CAS No.:

1462822-95-2

Catalog Number:

AG01CAB5

Molecular Formula:

C8H11N3O

Molecular Weight:

165.1924

Catalog Number:

AG01CAB5

Chemical Name:

3-(4-hydroxy-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile

CAS Number:

1462822-95-2

Molecular Formula:

C8H11N3O

Molecular Weight:

165.1924

MDL Number:

MFCD21254676

IUPAC Name:

3-(4-hydroxy-3,5-dimethylpyrazol-1-yl)propanenitrile

InChI:

InChI=1S/C8H11N3O/c1-6-8(12)7(2)11(10-6)5-3-4-9/h12H,3,5H2,1-2H3

InChI Key:

WGKJTPSLOBVBID-UHFFFAOYSA-N

SMILES:

N#CCCn1nc(c(c1C)O)C

Complexity:

198

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.196g/mol

Monoisotopic Mass:

165.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3