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CAS 1086063-73-1 (1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)boronic acid molecular structure lightbox
CAS RN: 1086063-73-1

(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)boronic acid

  • Product code: SSC-009852
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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: 0.1g, 0.25g, 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 1086063-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1086063-73-1 / [1-[2-(dimethylamino)ethyl]pyrazol-4-yl]boronic acid

(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)boronic acid | MFCD16621236 | [1-[2-(dimethylamino)ethyl]pyrazol-4-yl]boronic acid

Standard CAS: 1086063-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086063-73-1
Multi CAS
No
Molecular Formula
C7H14BN3O2
Molecular Weight
183.020000
Exact Mass
183.117907
SMILES
B(C1=CN(N=C1)CCN(C)C)(O)O
InChI
InChI=1S/C7H14BN3O2/c1-10(2)3-4-11-6-7(5-9-11)8(12)13/h5-6,12-13H,3-4H2,1-2H3
InChIKey
UCQQESQCZFLTNP-UHFFFAOYSA-N
Synonyms
(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)boronic acid MFCD16621236 [1-[2-(dimethylamino)ethyl]pyrazol-4-yl]boronic acid 1-[2-(Dimethylamino)ethyl]-1H-pyrazole-4-boronic Acid {1-[2-(Dimethylamino)ethyl]-1H-pyrazol-4-yl}boronic acid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.61
TPSA
61.52

LogP / Solubility

WLOGP
-1.88
MLOGP
-1.65
XLogP3
-1.88
Consensus LogP
-1.8
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
0.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.23
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.17

Drug-likeness / Medicinal Chemistry

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

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