Name: Name:5-AMINO-1-(TERT-BUTYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Brand: Angene
SKU: AG00BYQ6
Rating: 90 (10 reviews)

5-AMINO-1-(TERT-BUTYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

CAS No.:

320422-34-2

Catalog Number:

AG00BYQ6

Molecular Formula:

C14H15FN4

Molecular Weight:

258.2941

Catalog Number:

AG00BYQ6

Chemical Name:

5-AMINO-1-(TERT-BUTYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

CAS Number:

320422-34-2

Molecular Formula:

C14H15FN4

Molecular Weight:

258.2941

MDL Number:

MFCD01568265

IUPAC Name:

5-amino-1-tert-butyl-3-(4-fluorophenyl)pyrazole-4-carbonitrile

InChI:

InChI=1S/C14H15FN4/c1-14(2,3)19-13(17)11(8-16)12(18-19)9-4-6-10(15)7-5-9/h4-7H,17H2,1-3H3

InChI Key:

VSMJGUHIVXQFGB-UHFFFAOYSA-N

SMILES:

N#Cc1c(nn(c1N)C(C)(C)C)c1ccc(cc1)F

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.128g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.3g/mol

Monoisotopic Mass:

258.128g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8