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Compound 1238702-58-3

CAT: 0931-TPL0155-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0155-01Size:200 mg
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CAS Number
1238702-58-3
Purity
0.9589
Bioactivity
Compound 1238702-58-3, with CAS No. 1238702-58-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 1238702-58-3 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC1(C)OB(OC1(C)C)c1ccnn1-c1ccccc1
Molecular Formula
C15H19BN2O2
Molecular Weight
270.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number1238702-58-3
PubChem CID58072367
IUPAC Name1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Molecular FormulaC15H19BN2O2
Molecular Weight270.14
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity340
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3=CC=CC=C3
InChI
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)13-10-11-17-18(13)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey
TZYVCRRPWKPCLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS: 1238702-58-3
CID: 58072367
Formula: C15H19BN2O2
MW: 270.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.14
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass270.1539580
Monoisotopic Mass270.1539580
Topological Polar Surface Area36.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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