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CAS 1203705-55-8 3-broMo-1H-pyrazol-5-aMine molecular structure lightbox
CAS RN: 1203705-55-8

3-broMo-1H-pyrazol-5-aMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1203705-55-8
  • Purity/Analytical Methods: >99.0%
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1203705-55-8 / 5-bromo-1H-pyrazol-3-amine

3-Bromo-1H-pyrazol-5-amine | RefChem:498290 | 813-779-4

Standard CAS: 1203705-55-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203705-55-8
Multi CAS
Yes
Molecular Formula
C3H4BrN3
Molecular Weight
161.990000
Exact Mass
160.958860
SMILES
C1=C(NN=C1N)Br
InChI
InChI=1S/C3H4BrN3/c4-2-1-3(5)7-6-2/h1H,(H3,5,6,7)
InChIKey
VGBYIGUWAWHQOT-UHFFFAOYSA-N
Synonyms
3-Bromo-1H-pyrazol-5-amine RefChem:498290 813-779-4 5-Bromo-1H-pyrazol-3-amine 3-Amino-5-bromopyrazole

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.7
TPSA
54.7

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.17

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)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501

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