DSM502

CAT: 0127-BUP09407-06Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09407-06Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2426616-55-7

Purity

=98%

Smiles

Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1

Chemical Information

N-cyclopropyl-3-methyl-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide

CAS Number	2426616-55-7
PubChem CID	154699462
IUPAC Name	N-cyclopropyl-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
Molecular Formula	C16H16F3N3O
Molecular Weight	323.31
XLogP	3
Topological Polar Surface Area	57.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	439

SMILES

CC1=C(NC=C1CC2=CN=C(C=C2)C(F)(F)F)C(=O)NC3CC3

InChI

InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)

InChIKey

AFOVOYRODSYDMK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2426616-55-7

CID: 154699462

Formula: C16H16F3N3O

MW: 323.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.31
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	323.12454663
Monoisotopic Mass	323.12454663
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	439
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T40087-01	DSM502