CAS: 1000895-53-3
이름: 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine
SMILES:
COC1=CC(=CC(=C1)CCC2=CC(=NN2)N)OCMolecular Processing
Molecular formula
C13H17N3O2
Molecular weight
247.3
Exact mass
247.1321
XLogP
1.79
TPSA
73.16
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
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
0.308
Molar refractivity
69.95
Supplementary Information
InChIKey: QKEFSZDRDPDTTE-UHFFFAOYSA-N
동의어
1000895-53-35-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amineDTXSID406776195-(2-(3,5-Dimethoxyphenyl)ethyl)-1H-pyrazol-3-amineRefChem:299349DTXCID40628368850-737-45-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-amine3-(3,5-dimethoxyphenethyl)-1H-pyrazol-5-amineMFCD147057581H-Pyrazol-3-amine, 5-[2-(3,5-dimethoxyphenyl)ethyl]-5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazole-3-amine5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-amineSCHEMBL63547SCHEMBL1922681QKEFSZDRDPDTTE-UHFFFAOYSA-NEX-A1713AKOS011295076AKOS015995519AC-30365BS-14103DB-349788CS-0061956EN300-59407W17364F796835Z9695597505-(3,5-DIMETHOXYPHENETHYL)-1,2-DIHYDRO-3H-PYRAZOL-3-IMINE
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