Name: Name:1H-Pyrazole-4-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-3-(phenylmethyl)-
Brand: Angene
SKU: AG001PVR
Rating: 90 (10 reviews)

1H-Pyrazole-4-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-3-(phenylmethyl)-

CAS No.:

158001-18-4

Catalog Number:

AG001PVR

Molecular Formula:

C15H18N4

Molecular Weight:

254.3302

Catalog Number:

AG001PVR

Chemical Name:

1H-Pyrazole-4-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-3-(phenylmethyl)-

CAS Number:

158001-18-4

Molecular Formula:

C15H18N4

Molecular Weight:

254.3302

MDL Number:

MFCD16251183

IUPAC Name:

5-amino-3-benzyl-1-tert-butylpyrazole-4-carbonitrile

InChI:

InChI=1S/C15H18N4/c1-15(2,3)19-14(17)12(10-16)13(18-19)9-11-7-5-4-6-8-11/h4-8H,9,17H2,1-3H3

InChI Key:

BUSKUEBIZUJLMJ-UHFFFAOYSA-N

SMILES:

N#Cc1c(Cc2ccccc2)nn(c1N)C(C)(C)C

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.153g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.337g/mol

Monoisotopic Mass:

254.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: