CC(=O)NC1=CN(N=C1Cl)C2=CN=CC=C2
名称: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide
SMILES: CC(=O)NC1=CN(N=C1Cl)C2=CN=CC=C2

Molecular Processing

Molecular formula
C10H9ClN4O
Molecular weight
236.66
Exact mass
236.0465
XLogP
1.88
TPSA
59.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
60.67

Supplementary Information

InChIKey: MKYDFIATDBRNHK-UHFFFAOYSA-N
同義語
SCHEMBL16652277MKYDFIATDBRNHK-UHFFFAOYSA-NN-(3-chloro-1-(pyridin-3-yl)-1H-pyrazol-4-yl)acetamide
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