5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine

Thuốc Gốc

Small Molecule

CTHH: C₁₀H₇F₃N₆

PTK: 268.198

5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine is a solid. This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring. This drug targets the protein methionine aminopeptidase.

Nhận Dạng Quốc Tế & Đặc Tính Hóa Học

Công thức hóa học

C₁₀H₇F₃N₆

Phân tử khối

268.198

Monoisotopic mass

268.068428869

InChI

InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8?,17-16+

InChI Key

InChIKey=SNTJRGVKGCPNBK-KGQVPBNKSA-N

IUPAC Name

3-imino-4-[(E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]-3H-pyrazol-5-amine

Traditional IUPAC Name

5-imino-4-[(E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]pyrazol-3-amine

SMILES

NC1=C(\N=N\C2=CC=CC(=C2)C(F)(F)F)C(=N)N=N1

Độ hòa tan

1.34e-02 g/l

logP

2.02

logS

-4.3

pKa (Strongest Basic)

3.9

PSA

99.31 Å²

Refractivity

83.5 m³·mol^-1

Polarizability

22.28 Å³

Rotatable Bond Count

H Bond Acceptor Count

H Bond Donor Count

Physiological Charge

Number of Rings

Bioavailability

Rule of Five

true

Ghose Filter

true

Tài Liệu Tham Khảo Thêm

drugbank

http://www.drugbank.ca/drugs/DB08666

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