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CAS 1418117-74-4 3-AMino-5-(trifluoroMethyl)pyrazole Hydrochloride molecular structure lightbox
CAS RN: 1418117-74-4

3-AMino-5-(trifluoroMethyl)pyrazole Hydrochloride

  • Product code: SSC-052493
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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, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 1418117-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1418117-74-4 / 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride

Standard CAS: 1418117-74-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1418117-74-4
Multi CAS
No
Molecular Formula
C4H5ClF3N3
Molecular Weight
187.550000
Exact Mass
187.012409
SMILES
C1=C(NN=C1N)C(F)(F)F.Cl
InChI
InChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-3(8)10-9-2;/h1H,(H3,8,9,10);1H
InChIKey
WHPUBYZDGHLJAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.25
TPSA
54.7

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.85

Drug-likeness / Medicinal Chemistry

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

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