Nombre: 1-methyl-5-pyridin-3-ylpyrazole-4-carbaldehyde
SMILES:
CN1C(=C(C=N1)C=O)C2=CN=CC=C2Molecular Processing
Molecular formula
C10H9N3O
Molecular weight
187.2
Exact mass
187.0746
XLogP
1.29
TPSA
47.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
51.83
Supplementary Information
InChIKey: CQVJERPFTHGOIY-UHFFFAOYSA-N
Sinónimos
SCHEMBL4833921CQVJERPFTHGOIY-UHFFFAOYSA-N1-methyl-5-(3-pyridinyl)-1H-pyrazole-4-carbaldehyde
Participa en 2 reacciones→