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CAS 89831-40-3 3,4-Dimethyl-1H-pyrazole-5-carboxylic acid molecular structure lightbox
CAS RN: 89831-40-3

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid

  • Product code: SSC-201919
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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, 25g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 6
  • 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 89831-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g ≥98% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥98% 2 In Stock Hong Kong Inquiry
1g -- 2 In Stock Shanghai Inquiry
1g ≥98% 2 In Stock Shanghai Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Hong Kong Inquiry

89831-40-3 / 4,5-dimethyl-1H-pyrazole-3-carboxylic acid

Standard CAS: 89831-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89831-40-3
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
InChI
InChI=1S/C6H8N2O2/c1-3-4(2)7-8-5(3)6(9)10/h1-2H3,(H,7,8)(H,9,10)
InChIKey
URZZLPLGTZFNST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.02
TPSA
65.98

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.8
Consensus LogP
0.72
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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