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CAS 1201643-90-4 1-Isopropyl-1H-pyrazol-4-ylboronic acid molecular structure lightbox
CAS RN: 1201643-90-4

1-Isopropyl-1H-pyrazol-4-ylboronic acid

  • Product code: SSC-020961
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1201643-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g -- 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

1201643-90-4 / (1-propan-2-ylpyrazol-4-yl)boronic acid

(1-Isopropyl-1H-pyrazol-4-yl)boronic acid | 1-Isopropylpyrazole-4-boronic acid | 1-ISOPROPYL-1H-PYRAZOL-4-YLBORONIC ACID

Standard CAS: 1201643-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1201643-90-4
Multi CAS
No
Molecular Formula
C6H11BN2O2
Molecular Weight
153.980000
Exact Mass
154.091358
SMILES
B(C1=CN(N=C1)C(C)C)(O)O
InChI
InChI=1S/C6H11BN2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5,10-11H,1-2H3
InChIKey
VLVZNLMUFJYZDG-UHFFFAOYSA-N
Synonyms
(1-Isopropyl-1H-pyrazol-4-yl)boronic acid 1-Isopropylpyrazole-4-boronic acid 1-ISOPROPYL-1H-PYRAZOL-4-YLBORONIC ACID MFCD16036118 (1-propan-2-ylpyrazol-4-yl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.44
TPSA
58.28

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.76
XLogP3
-0.86
Consensus LogP
-0.83
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.27

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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