Name: Name:1H-Pyrazole-4-carbonitrile,5-amino-1-(2-ethylphenyl)-(9CI)
Brand: Angene
SKU: AG00GE11
Rating: 90 (10 reviews)

1H-Pyrazole-4-carbonitrile,5-amino-1-(2-ethylphenyl)-(9CI)

CAS No.:

792953-03-8

Catalog Number:

AG00GE11

Molecular Formula:

C12H12N4

Molecular Weight:

212.2505

Catalog Number:

AG00GE11

Chemical Name:

1H-Pyrazole-4-carbonitrile,5-amino-1-(2-ethylphenyl)-(9CI)

CAS Number:

792953-03-8

Molecular Formula:

C12H12N4

Molecular Weight:

212.2505

MDL Number:

MFCD11936681

IUPAC Name:

5-amino-1-(2-ethylphenyl)pyrazole-4-carbonitrile

InChI:

InChI=1S/C12H12N4/c1-2-9-5-3-4-6-11(9)16-12(14)10(7-13)8-15-16/h3-6,8H,2,14H2,1H3

InChI Key:

WUQJYFKHODJZKB-UHFFFAOYSA-N

SMILES:

CCc1ccccc1n1ncc(c1N)C#N

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.256g/mol

Monoisotopic Mass:

212.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6