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CAS 1621-91-6 Pyrazole-3-carboxylic Acid molecular structure lightbox
CAS RN: 1621-91-6

Pyrazole-3-carboxylic Acid

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251213 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 5g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-069621
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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, 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 1621-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 2 In Stock Shenzhen Inquiry
500g >98% 0 Out of Stock Hong Kong Inquiry

1621-91-6 / 1H-pyrazole-5-carboxylic acid

Standard CAS: 1621-91-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1621-91-6
Multi CAS
No
Molecular Formula
C4H4N2O2
Molecular Weight
112.090000
Exact Mass
112.027277
SMILES
C1=C(NN=C1)C(=O)O
InChI
InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
InChIKey
KOPFEFZSAMLEHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
25.55
TPSA
65.98

LogP / Solubility

WLOGP
0.11
MLOGP
0.08
XLogP3
0.1
Consensus LogP
0.1
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very 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)
-3.33

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (20.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (18.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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