[email protected]
CAS 1780-72-9 3-Amino-4-bromo-5-methylpyrazole molecular structure lightbox
CAS RN: 1780-72-9

3-Amino-4-bromo-5-methylpyrazole

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250718 1g In stock Inquiry
Batchno.20260601 250mg In stock Inquiry
Batchno.20260529 5g In stock Inquiry
  • Product code: SSC-077957
GET A QUOTE
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, 10g, 0.25g, 5g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1780-72-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 3 In Stock Shenzhen Inquiry
0.25g ≥98% 2 In Stock Shenzhen Inquiry
5g ≥98% 1 In Stock Beijing Inquiry
25g ≥98% 1 In Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

1780-72-9 / 4-bromo-5-methyl-1H-pyrazol-3-amine

Standard CAS: 1780-72-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1780-72-9
Multi CAS
No
Molecular Formula
C4H6BrN3
Molecular Weight
176.010000
Exact Mass
174.974510
SMILES
CC1=C(C(=NN1)N)Br
InChI
InChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKey
WZMBDMWFVPKYCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.44
TPSA
54.7

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.04

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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us