Tìm theo
N-phenyl-1H-pyrazole-3-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C10H9N3O
PTK: 187.198
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H9N3O
Phân tử khối
187.198
Monoisotopic mass
187.074561925
InChI
InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)
InChI Key
InChIKey=WMZYZYFPPQOFKY-UHFFFAOYSA-N
IUPAC Name
N-phenyl-1H-pyrazole-3-carboxamide
Traditional IUPAC Name
N-phenyl-1H-pyrazole-3-carboxamide
SMILES
O=C(NC1=CC=CC=C1)C1=NNC=C1
Độ hòa tan
1.07e+00 g/l
logP
1.76
logS
-2.2
pKa (strongest acidic)
10.51
pKa (Strongest Basic)
-0.14
PSA
57.78 Å2
Refractivity
54.91 m3·mol-1
Polarizability
19.22 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08135
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=680935
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444606
ChemSpider
http://www.chemspider.com/Chemical-Structure.593144.html
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