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CAS 126674-95-1 1H-Pyrazole-5-carboxylicacid,3-methoxy-1-methyl-(9CI) molecular structure lightbox
CAS RN: 126674-95-1

1H-Pyrazole-5-carboxylicacid,3-methoxy-1-methyl-(9CI)

  • Product code: SSC-033730
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 126674-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

126674-95-1 / 3-methoxy-1-methylpyrazole-5-carboxylic acid

Standard CAS: 126674-95-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
126674-95-1
Multi CAS
No
Molecular Formula
C6H8N2O3
Molecular Weight
156.140000
Exact Mass
156.053492
SMILES
CN1C(=CC(=N1)OC)C(=O)O
InChI
InChI=1S/C6H8N2O3/c1-8-4(6(9)10)3-5(7-8)11-2/h3H,1-2H3,(H,9,10)
InChIKey
SFSQKEJNNYYLKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.72
TPSA
64.35

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
0.4
Consensus LogP
0.21
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-3.58

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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