1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
Thuốc Gốc
Small Molecule
CTHH: C14H15ClN2O2
PTK: 278.734
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
278.734
Monoisotopic mass
278.082205441
InChI
InChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3
InChI Key
InChIKey=XQCKNCFQOJFQFK-UHFFFAOYSA-N
IUPAC Name
ethyl 1-(2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
Traditional IUPAC Name
ethyl 1-(2-chlorophenyl)-3,5-dimethylpyrazole-4-carboxylate
SMILES
CCOC(=O)C1=C(C)N(N=C1C)C1=C(Cl)C=CC=C1
Độ hòa tan
4.54e-02 g/l
logP
3.35
logS
-3.8
pKa (Strongest Basic)
1.97
PSA
44.12 Å2
Refractivity
75.74 m3·mol-1
Polarizability
29.22 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
2
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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