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CAS 37832-55-6 2,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid molecular structure lightbox
CAS RN: 37832-55-6

2,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid

  • Product code: SSC-145284
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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: 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 37832-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

37832-55-6 / 5-oxo-1,2-dihydropyrazole-3-carboxylic acid

Standard CAS: 37832-55-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37832-55-6
Multi CAS
Yes
Molecular Formula
C4H4N2O3
Molecular Weight
128.090000
Exact Mass
128.022192
InChI
InChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H,(H,8,9)(H2,5,6,7)
InChIKey
FERCTUUKKXAWIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
28.37
TPSA
85.95

LogP / Solubility

WLOGP
-0.6
MLOGP
-0.54
XLogP3
-0.5
Consensus LogP
-0.55
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very 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)
-3.93

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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