Name: Name:4-[4-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-1H-imidazol-1-yl]benzonitrile
Brand: Angene
SKU: AG01BED7
Rating: 90 (10 reviews)

4-[4-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-1H-imidazol-1-yl]benzonitrile

CAS No.:

1803606-39-4

Catalog Number:

AG01BED7

Molecular Formula:

C16H13N5O

Molecular Weight:

291.3073

Catalog Number:

AG01BED7

Chemical Name:

4-[4-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-1H-imidazol-1-yl]benzonitrile

CAS Number:

1803606-39-4

Molecular Formula:

C16H13N5O

Molecular Weight:

291.3073

MDL Number:

MFCD28118336

IUPAC Name:

4-[4-(3,5-dimethylpyrazole-1-carbonyl)imidazol-1-yl]benzonitrile

InChI:

InChI=1S/C16H13N5O/c1-11-7-12(2)21(19-11)16(22)15-9-20(10-18-15)14-5-3-13(8-17)4-6-14/h3-7,9-10H,1-2H3

InChI Key:

RXRNYUNGXPRBNA-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)n1cnc(c1)C(=O)n1nc(cc1C)C

Complexity:

464

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.314g/mol

Monoisotopic Mass:

291.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4