Tìm theo
N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide
Thuốc Gốc
Small Molecule
CTHH: C18H17N3O
PTK: 291.3471
N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. The proteins that N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide targets include cyclin-A2 and cyclin-dependent kinase 2.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H17N3O
Phân tử khối
291.3471
Monoisotopic mass
291.137162181
InChI
InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
InChI Key
InChIKey=RIGZCVNCFXYBEG-UHFFFAOYSA-N
IUPAC Name
N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(naphthalen-2-yl)acetamide
Traditional IUPAC Name
N-(5-cyclopropyl-2H-pyrazol-3-yl)-2-(naphthalen-2-yl)acetamide
SMILES
O=C(CC1=CC2=C(C=CC=C2)C=C1)NC1=CC(=NN1)C1CC1
Độ hòa tan
6.50e-03 g/l
logP
3.34
logS
-4.7
pKa (strongest acidic)
12.91
pKa (Strongest Basic)
2.58
PSA
57.78 Å2
Refractivity
87.02 m3·mol-1
Polarizability
32.31 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB06944
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=449087
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443415
ChemSpider
http://www.chemspider.com/Chemical-Structure.395710.html
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