CCOC(=O)CCC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)N
CAS: 872171-14-7
الاسم: ethyl 3-[3-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]propanoate
SMILES: CCOC(=O)CCC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)N

Molecular Processing

Molecular formula
C18H25N3O2
Molecular weight
315.42
Exact mass
315.1947
XLogP
3.25
TPSA
70.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
91.63

Supplementary Information

InChIKey: MSXSOWBROHIEJA-UHFFFAOYSA-N
مرادفات
SCHEMBL2082247MSXSOWBROHIEJA-UHFFFAOYSA-NDB-142075ethyl 3-(3-(3-t-butyl-5-amino-1H-pyrazol-1-yl)phenyl)propanoate3-[3-(5-amino-3-t-butyl-pyrazol-1-yl)-phenyl]- propionic acid ethyl ester3-[3-(5-amino-3-t-butyl-pyrazol-1-yl)-phenyl]-propionic acid ethyl esterEthyl 3-(3-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)phenyl)propanoate872171-14-7
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