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1193383-09-3 | 1H-Pyrazole-4-carboxylic acid, 1-[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]-
CAS No: 1193383-09-3 Catalog No: AG000IM5 MDL No:
Product Description
Catalog Number:
AG000IM5
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]-
CAS Number:
1193383-09-3
Molecular Formula:
C12H6ClF3N4O3
Molecular Weight:
346.6492
IUPAC Name:
1-[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H6ClF3N4O3/c13-6-1-7-8(2-9(6)23-12(14,15)16)19-11(18-7)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)
InChI Key:
FXHHASJVTYRJHH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1[nH]c2c(n1)cc(c(c2)Cl)OC(F)(F)F
UNII:
T4PPL01131
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.008g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.65g/mol
Monoisotopic Mass:
346.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| The stabilization of hypoxia inducible factor modulates differentiation status and inhibits the proliferation of mouse embryonic stem cells. | Chemico-biological interactions 20160125 |
| Pharmacological characterization of 1-(5-chloro-6-(trifluoromethoxy)-1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid (JNJ-42041935), a potent and selective hypoxia-inducible factor prolyl hydroxylase inhibitor. | Molecular pharmacology 20110601 |
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