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CAS 1022151-50-3 1-(2H3)methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole molecular structure lightbox
CAS RN: 1022151-50-3

1-(2H3)methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003509
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1022151-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1022151-50-3 / 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trideuteriomethyl)pyrazole

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trideuteriomethyl)pyrazole | MFCD28501268 | 1-(2H3)methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Standard CAS: 1022151-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1022151-50-3
Multi CAS
No
Molecular Formula
C10H17BN2O2
Molecular Weight
211.090000
Exact Mass
211.157138
SMILES
[2H]C([2H])([2H])N1C=C(C=N1)B2OC(C(O2)(C)C)(C)C
InChI
InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3/i5D3
InChIKey
UCNGGGYMLHAMJG-VPYROQPTSA-N
Synonyms
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trideuteriomethyl)pyrazole MFCD28501268 1-(2H3)methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1-(methyl-d3)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1-(D3)methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.92
TPSA
36.28

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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