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CAS 1031793-63-1 5-AMino-3-(2-broMophenyl)pyrazole Hydrochloride molecular structure lightbox
CAS RN: 1031793-63-1

5-AMino-3-(2-broMophenyl)pyrazole Hydrochloride

  • Product code: SSC-004605
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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: 5g
  • 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 1031793-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1031793-63-1 / 5-(2-bromophenyl)-1H-pyrazol-3-amine;hydrochloride

3-(2-bromophenyl)-1H-pyrazol-5-amine hydrochloride | 5-Amino-3-(2-bromophenyl)pyrazole Hydrochloride | 3-Amino-5-(2-bromophenyl)pyrazole, HCl

Standard CAS: 1031793-63-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1031793-63-1
Multi CAS
Yes
Molecular Formula
C9H9BrClN3
Molecular Weight
274.540000
Exact Mass
272.966840
SMILES
C1=CC=C(C(=C1)C2=CC(=NN2)N)Br.Cl
InChI
InChI=1S/C9H8BrN3.ClH/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8;/h1-5H,(H3,11,12,13);1H
InChIKey
IQMUANNWXBSNSJ-UHFFFAOYSA-N
Synonyms
3-(2-bromophenyl)-1H-pyrazol-5-amine hydrochloride 5-Amino-3-(2-bromophenyl)pyrazole Hydrochloride 3-Amino-5-(2-bromophenyl)pyrazole, HCl 5-(2-bromophenyl)-1H-pyrazol-3-amine;hydrochloride MFCD06653205

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.38
TPSA
54.7

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

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

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