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89239-53-2 | Cyclopropanecarboxamide, N-(5-cyano-1,3-dimethyl-1H-pyrazol-4-yl)-
CAS No: 89239-53-2 Catalog No: AG0042SU MDL No:
Product Description
Catalog Number:
AG0042SU
Chemical Name:
Cyclopropanecarboxamide, N-(5-cyano-1,3-dimethyl-1H-pyrazol-4-yl)-
CAS Number:
89239-53-2
Molecular Formula:
C10H12N4O
Molecular Weight:
204.2285
IUPAC Name:
N-(5-cyano-1,3-dimethylpyrazol-4-yl)cyclopropanecarboxamide
InChI:
InChI=1S/C10H12N4O/c1-6-9(8(5-11)14(2)13-6)12-10(15)7-3-4-7/h7H,3-4H2,1-2H3,(H,12,15)
InChI Key:
VSVNESBKLBHATG-UHFFFAOYSA-N
SMILES:
N#Cc1n(C)nc(c1NC(=O)C1CC1)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.233g/mol
Monoisotopic Mass:
204.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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