(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C21H24F2N4O
PTK: 386.4383
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H24F2N4O
Phân tử khối
386.4383
Monoisotopic mass
386.19181782
InChI
InChI=1S/C21H24F2N4O/c1-2-25-20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(26-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,2,6,11-12,14,24H2,1H3,(H,25,28)/t21-/m0/s1
InChI Key
InChIKey=OQMVLDZJPRSNOG-NRFANRHFSA-N
IUPAC Name
(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
Traditional IUPAC Name
(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILES
CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1
Độ hòa tan
9.96e-03 g/l
logP
3.14
logS
-4.6
pKa (strongest acidic)
13.46
pKa (Strongest Basic)
9.9
PSA
70.72 Å2
Refractivity
104.81 m3·mol-1
Polarizability
40.37 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading