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ERDRP-0519

CAT: 0926-ZEC00696-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-ZEC00696-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1374006-96-8
Smiles
CN1C (=CC (=N1) C (F) (F) F) C (=O) NC2=CC=C (C=C2) S (=O) (=O) N3CCCCC3CCN4CCOCC4
Molecular Formula
C23H30F3N5O4S
Molecular Weight
529.6 g/mol
Controlled
No

Chemical Information

1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CAS Number1374006-96-8
PubChem CID57521469
IUPAC Name1-methyl-N-[4-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
Molecular FormulaC23H30F3N5O4S
Molecular Weight529.6
XLogP2.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity842
SMILES
CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC[C@H]3CCN4CCOCC4
InChI
InChI=1S/C23H30F3N5O4S/c1-29-20(16-21(28-29)23(24,25)26)22(32)27-17-5-7-19(8-6-17)36(33,34)31-10-3-2-4-18(31)9-11-30-12-14-35-15-13-30/h5-8,16,18H,2-4,9-15H2,1H3,(H,27,32)/t18-/m0/s1
InChIKey
JVZHTUQIMBYDSX-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CAS: 1374006-96-8
CID: 57521469
Formula: C23H30F3N5O4S
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass529.19706011
Monoisotopic Mass529.19706011
Topological Polar Surface Area105 Ų
Heavy Atom Count36
Formal Charge0
Complexity842
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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CatalogName
563029ERDRP-0519
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A22150-25ERDRP-0519 25mg
A22150-100ERDRP-0519 100mg
A22150-10ERDRP-0519 10mg
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