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88508-31-0 | 1H-Pyrazole, 1-[cyano(methylphenylhydrazono)acetyl]-3,5-dimethyl-
CAS No: 88508-31-0 Catalog No: AG0048KD MDL No:
Product Description
Catalog Number:
AG0048KD
Chemical Name:
1H-Pyrazole, 1-[cyano(methylphenylhydrazono)acetyl]-3,5-dimethyl-
CAS Number:
88508-31-0
Molecular Formula:
C15H15N5O
Molecular Weight:
281.3125
IUPAC Name:
2-(3,5-dimethylpyrazol-1-yl)-N-(N-methylanilino)-2-oxoethanimidoyl cyanide
InChI:
InChI=1S/C15H15N5O/c1-11-9-12(2)20(17-11)15(21)14(10-16)18-19(3)13-7-5-4-6-8-13/h4-9H,1-3H3
InChI Key:
QGNZPTZONCTMII-UHFFFAOYSA-N
SMILES:
N#CC(=NN(c1ccccc1)C)C(=O)n1nc(cc1C)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.319g/mol
Monoisotopic Mass:
281.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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