VU 6005649

CAT: 0926-MKD04743-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-MKD04743-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

2137047-43-7

MDL Number

MFCD31619260

Smiles

CC1=NC2=C (C (=NN2C (=C1) C (F) (F) F) C) C3=C (C (=C (C=C3) OC) F) F

Molecular Formula

C16H12F5N3O

Molecular Weight

357.28 g/mol

Controlled

Chemical Information

3-(2,3-Difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

CAS Number	2137047-43-7
PubChem CID	131954513
IUPAC Name	3-(2,3-difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Molecular Formula	C16H12F5N3O
Molecular Weight	357.28
XLogP	3.8
Topological Polar Surface Area	39.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	479

SMILES

CC1=NC2=C(C(=NN2C(=C1)C(F)(F)F)C)C3=C(C(=C(C=C3)OC)F)F

InChI

InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3

InChIKey

NYBZCKAQIIPSDS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2137047-43-7

CID: 131954513

Formula: C16H12F5N3O

MW: 357.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.28
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	357.09005283
Monoisotopic Mass	357.09005283
Topological Polar Surface Area	39.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	479
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
6893/50	VU 6005649