1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
Thuốc Gốc
Small Molecule
CTHH: C15H18N2O3
PTK: 274.315
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
274.315
Monoisotopic mass
274.131742452
InChI
InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3
InChI Key
InChIKey=ZDSXCFSUGVAQSB-UHFFFAOYSA-N
IUPAC Name
ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
Traditional IUPAC Name
ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate
SMILES
CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1
Độ hòa tan
2.31e-01 g/l
logP
2.59
logS
-3.1
pKa (Strongest Basic)
1.99
PSA
53.35 Å2
Refractivity
77.4 m3·mol-1
Polarizability
30.23 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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