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DPC 423

CAT: 0572-TRC-D585500-75MGSize: 75 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D585500-75MGSize:75 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
292135-59-2
Hazard Statement
No Data Available
Smiles
Cl.CS(=O)(=O)c1ccccc1c2ccc(NC(=O)c3cc(nn3c4cccc(CN)c4)C(F)(F)F)c(F)c2
Molecular Formula
C25 H20 F4 N4 O3 S . H Cl
Molecular Weight
568.971
InChI
InChI=1S/C25H20F4N4O3S.ClH/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30;/h2-13H,14,30H2,1H3,(H,31,34);1H
Additionnal Information
IUPAC name: 2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Dpc-423
CAS Number292135-59-2
PubChem CID9937921
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydrochloride
Molecular FormulaC25H21ClF4N4O3S
Molecular Weight569.0
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity899
SMILES
CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)F.Cl
InChI
InChI=1S/C25H20F4N4O3S.ClH/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30;/h2-13H,14,30H2,1H3,(H,31,34);1H
InChIKey
LJBVKRYJJZQKGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dpc-423
CAS: 292135-59-2
CID: 9937921
Formula: C25H21ClF4N4O3S
MW: 569.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass568.0959021
Monoisotopic Mass568.0959021
Topological Polar Surface Area115 Ų
Heavy Atom Count38
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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