Name: Name:3-(3-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)propanenitrile
Brand: Angene
SKU: AG019ZGO
Rating: 90 (10 reviews)

3-(3-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)propanenitrile

CAS No.:

1414325-59-9

Catalog Number:

AG019ZGO

Molecular Formula:

C10H15N3O

Molecular Weight:

193.2456

Catalog Number:

AG019ZGO

Chemical Name:

3-(3-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)propanenitrile

CAS Number:

1414325-59-9

Molecular Formula:

C10H15N3O

Molecular Weight:

193.2456

MDL Number:

MFCD22369944

IUPAC Name:

3-(3-tert-butyl-5-oxo-1,2-dihydropyrazol-4-yl)propanenitrile

InChI:

InChI=1S/C10H15N3O/c1-10(2,3)8-7(5-4-6-11)9(14)13-12-8/h4-5H2,1-3H3,(H2,12,13,14)

InChI Key:

SVQSFJKADWCDGC-UHFFFAOYSA-N

SMILES:

N#CCCc1c(O)[nH]nc1C(C)(C)C

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.25g/mol

Monoisotopic Mass:

193.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4