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CAS 32258-58-5 4-Bromo-5-methyl-1H-pyrazole-3-carboxamide molecular structure lightbox
CAS RN: 32258-58-5

4-Bromo-5-methyl-1H-pyrazole-3-carboxamide

  • Product code: SSC-137814
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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: 0.25g
  • 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 32258-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

32258-58-5 / 4-bromo-5-methyl-1H-pyrazole-3-carboxamide

Standard CAS: 32258-58-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32258-58-5
Multi CAS
Yes
Molecular Formula
BC5H6ORn3
Molecular Weight
204.020000
Exact Mass
202.969420
InChI
InChI=1S/C5H6BrN3O/c1-2-3(6)4(5(7)10)9-8-2/h1H3,(H2,7,10)(H,8,9)
InChIKey
ZDMIXRPYDJANCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.54
TPSA
71.77

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
0.5
Consensus LogP
0.53
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-3.55

Drug-likeness / Medicinal Chemistry

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

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