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CAS 1179904-89-2 2-(4-bromo-1H-pyrazol-1-yl)-N-methylacetamide(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1179904-89-2

2-(4-bromo-1H-pyrazol-1-yl)-N-methylacetamide(SALTDATA: FREE)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-017834
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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: ＞97%
  • 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 1179904-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1179904-89-2 / 2-(4-bromopyrazol-1-yl)-N-methylacetamide

2-(4-BROMO-1H-PYRAZOL-1-YL)-N-METHYLACETAMIDE | 2-(4-bromopyrazol-1-yl)-N-methylacetamide | MFCD12819524

Standard CAS: 1179904-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179904-89-2
Multi CAS
No
Molecular Formula
C6H8BrN3O
Molecular Weight
218.050000
Exact Mass
216.985070
SMILES
CNC(=O)CN1C=C(C=N1)Br
InChI
InChI=1S/C6H8BrN3O/c1-8-6(11)4-10-3-5(7)2-9-10/h2-3H,4H2,1H3,(H,8,11)
InChIKey
TWHACBMAWLNUBF-UHFFFAOYSA-N
Synonyms
2-(4-BROMO-1H-PYRAZOL-1-YL)-N-METHYLACETAMIDE 2-(4-bromopyrazol-1-yl)-N-methylacetamide MFCD12819524 SCHEMBL17605717 DTXSID00598856

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.99
TPSA
46.92

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.77

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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