CAS RN: 1025447-55-5
5-AMino-3-(3,4-dichlorophenyl)pyrazole Hydrochloride
- Product code: SSC-003791
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: 0.1g, 1g, 5g, 10g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
1025447-55-5 / 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine;hydrochloride
5-Amino-3-(3,4-dichlorophenyl)pyrazole Hydrochloride | 3-(3,4-Dichlorophenyl)-1H-pyrazol-5-amine hydrochloride | MFCD06653328
Basic Information
CAS
1025447-55-5
Multi CAS
Yes
Molecular Formula
C9H8Cl3N3
Molecular Weight
264.500000
Exact Mass
262.978380
SMILES
C1=CC(=C(C=C1C2=CC(=NN2)N)Cl)Cl.Cl
InChI
InChI=1S/C9H7Cl2N3.ClH/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8;/h1-4H,(H3,12,13,14);1H
InChIKey
PSJQDSKWFKDJSE-UHFFFAOYSA-N
Synonyms
5-Amino-3-(3,4-dichlorophenyl)pyrazole Hydrochloride
3-(3,4-Dichlorophenyl)-1H-pyrazol-5-amine hydrochloride
MFCD06653328
5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine;hydrochloride
C9H8Cl3N3
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.7
TPSA
54.7
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.39
Consensus LogP
3.26
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.93
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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