Name: Name:5-amino-1-(3-methylbutyl)-1H-pyrazole-4-carbonitrile
Brand: Angene
SKU: AG01ACKA
Rating: 90 (10 reviews)

5-amino-1-(3-methylbutyl)-1H-pyrazole-4-carbonitrile

CAS No.:

159979-73-4

Catalog Number:

AG01ACKA

Molecular Formula:

C9H14N4

Molecular Weight:

178.2343

Catalog Number:

AG01ACKA

Chemical Name:

5-amino-1-(3-methylbutyl)-1H-pyrazole-4-carbonitrile

CAS Number:

159979-73-4

Molecular Formula:

C9H14N4

Molecular Weight:

178.2343

MDL Number:

MFCD14661902

IUPAC Name:

5-amino-1-(3-methylbutyl)pyrazole-4-carbonitrile

InChI:

InChI=1S/C9H14N4/c1-7(2)3-4-13-9(11)8(5-10)6-12-13/h6-7H,3-4,11H2,1-2H3

InChI Key:

UXCZNWQQHCPNKL-UHFFFAOYSA-N

SMILES:

CC(CCn1ncc(c1N)C#N)C

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.239g/mol

Monoisotopic Mass:

178.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8