200,000+ products from a single source!

sales@angenechem.com

Home > Imidazoles > 1803606-39-4

1803606-39-4

1803606-39-4 | 4-[4-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-1H-imidazol-1-yl]benzonitrile

CAS No: 1803606-39-4 Catalog No: AG01BED7 MDL No:MFCD28118336

Product Description

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

Properties

Complexity:
464  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.112g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.314g/mol
Monoisotopic Mass:
291.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Related Products

© 2019 Angene International Limited. All rights Reserved.