CCN(C1=CN(N=C1Cl)C2=CN=CC=C2)C(=O)C
名称: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide
SMILES: CCN(C1=CN(N=C1Cl)C2=CN=CC=C2)C(=O)C

Molecular Processing

Molecular formula
C12H13ClN4O
Molecular weight
264.72
Exact mass
264.0778
XLogP
2.29
TPSA
51.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
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
0.25
Molar refractivity
70.07

Supplementary Information

InChIKey: FZXISDCEHQFFHQ-UHFFFAOYSA-N
同義語
SCHEMBL15348761SCHEMBL15357210SCHEMBL30424662FZXISDCEHQFFHQ-UHFFFAOYSA-NN-(3-chloro-1-(pyridin-3-yl)-1H-pyrazol-4-yl)-N-ethylacetamide
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