4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole
Thuốc Gốc
Small Molecule
CTHH: C14H14N4O2
PTK: 270.2866
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
270.2866
Monoisotopic mass
270.111675712
InChI
InChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18)
InChI Key
InChIKey=ATORUNMAUREKMH-UHFFFAOYSA-N
IUPAC Name
4-ethyl-6-[4-(1H-imidazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol
Traditional IUPAC Name
4-ethyl-6-[4-(1H-imidazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILES
CCC1=C(O)C=C(O)C(=C1)C1=NNC=C1C1=CNC=N1
Độ hòa tan
4.36e-01 g/l
logP
2.58
logS
-2.8
pKa (strongest acidic)
8.74
pKa (Strongest Basic)
5.79
PSA
97.82 Å2
Refractivity
75.83 m3·mol-1
Polarizability
27.64 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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