N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C16H16N4O
PTK: 280.3244
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
280.3244
Monoisotopic mass
280.132411154
InChI
InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)
InChI Key
InChIKey=OPBUUQBZKJSWTN-UHFFFAOYSA-N
IUPAC Name
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Traditional IUPAC Name
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
SMILES
CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1
Độ hòa tan
1.26e-01 g/l
logP
2.26
logS
-3.4
pKa (strongest acidic)
11.59
pKa (Strongest Basic)
1.64
PSA
64.78 Å2
Refractivity
83.15 m3·mol-1
Polarizability
30.25 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
2
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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