5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C16H20ClN5O3
PTK: 365.815
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
365.815
Monoisotopic mass
365.125467238
InChI
InChI=1S/C16H20ClN5O3/c1-2-19-16(25)14-15(22-5-3-18-4-6-22)13(20-21-14)9-7-10(17)12(24)8-11(9)23/h7-8,18,23-24H,2-6H2,1H3,(H,19,25)(H,20,21)
InChI Key
InChIKey=SORAKBHHTGVZCS-UHFFFAOYSA-N
IUPAC Name
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(piperazin-1-yl)-1H-pyrazole-3-carboxamide
Traditional IUPAC Name
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(piperazin-1-yl)-1H-pyrazole-3-carboxamide
SMILES
CCNC(=O)C1=NNC(=C1N1CCNCC1)C1=CC(Cl)=C(O)C=C1O
Độ hòa tan
4.04e-01 g/l
logP
0.27
logS
-3
pKa (strongest acidic)
7.91
pKa (Strongest Basic)
8.72
PSA
113.51 Å2
Refractivity
97.06 m3·mol-1
Polarizability
37.12 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
1
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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